ID	3O83A	STANDARD;	PRT;	544	AA.
DT	CONVERTED FROM PDB (SEQRES) 3O83
DE	Peptide arylation enzyme
OS	Acinetobacter baumannii
CC	EXPDTA	X-RAY DIFFRACTION
CC	RESOLU	1.900
CC	R-Factor	0.195
FT	#SUB	117	 115 	TYR	A	293	 291 	ILE	B	Protein	S	4
FT	#SUB	117	 115 	TYR	A	294	 292 	MET	B	Protein	S	4
FT	#SUB	117	 115 	TYR	A	297	 295 	GLU	B	Protein	S	3
FT	#SUB	204	 202 	GLY	A	293	 291 	ILE	B	Protein	B	1
FT	#SUB	290	 288 	SER	A	203	 201 	THR	B	Protein	A	2
FT	#SUB	293	 291 	ILE	A	117	 115 	TYR	B	Protein	S	1
FT	#SUB	293	 291 	ILE	A	204	 202 	GLY	B	Protein	S	2
FT	#SUB	294	 292 	MET	A	117	 115 	TYR	B	Protein	S	3
FT	#SUB	297	 295 	GLU	A	117	 115 	TYR	B	Protein	S	3
FT	#SUB	318	 316 	SER	A	439	 437 	LYS	B	Protein	S	4
FT	#SUB	423	 421 	LEU	A	423	 421 	LEU	B	Protein	S	1
FT	#SUB	434	 432 	VAL	A	439	 437 	LYS	B	Protein	B	2
FT	#SUB	435	 433 	VAL	A	438	 436 	ILE	B	Protein	B	4
FT	#SUB	435	 433 	VAL	A	439	 437 	LYS	B	Protein	B	2
FT	#SUB	436	 434 	GLY	A	437	 435 	ARG	B	Protein	B	2
FT	#SUB	437	 435 	ARG	A	436	 434 	GLY	B	Protein	B	2
FT	#SUB	437	 435 	ARG	A	437	 435 	ARG	B	Protein	B	9
FT	#SUB	438	 436 	ILE	A	435	 433 	VAL	B	Protein	A	5
FT	#SUB	439	 437 	LYS	A	318	 316 	SER	B	Protein	S	2
FT	#SUB	439	 437 	LYS	A	434	 432 	VAL	B	Protein	S	2
FT	#SUB	439	 437 	LYS	A	435	 433 	VAL	B	Protein	A	2
FT	#HET	55	  53 	GLN	A	3	544 	CA	A	B	2
FT	#HET	60	  58 	GLU	A	3	544 	CA	A	S	3
FT	#HET	200	 198 	GLY	A	1	800 	IXN	A	B	3
FT	#HET	227	 225 	CYS	A	5	546 	MPD	A	B	3
FT	#HET	228	 226 	GLY	A	5	546 	MPD	A	B	2
FT	#HET	229	 227 	LEU	A	5	546 	MPD	A	S	1
FT	#HET	233	 231 	THR	A	5	546 	MPD	A	A	6
FT	#HET	243	 241 	HIS	A	1	800 	IXN	A	S	8
FT	#HET	244	 242 	ASN	A	1	800 	IXN	A	S	5
FT	#HET	245	 243 	PHE	A	1	800 	IXN	A	A	13
FT	#HET	249	 247 	SER	A	1	800 	IXN	A	S	3
FT	#HET	283	 281 	ASN	A	5	546 	MPD	A	A	3
FT	#HET	284	 282 	MET	A	5	546 	MPD	A	S	1
FT	#HET	307	 305 	GLN	A	4	545 	CA	A	B	2
FT	#HET	309	 307 	LEU	A	4	545 	CA	A	B	2
FT	#HET	310	 308 	LYS	A	5	546 	MPD	A	S	2
FT	#HET	316	 314 	GLY	A	1	800 	IXN	A	B	20
FT	#HET	317	 315 	ALA	A	1	800 	IXN	A	B	14
FT	#HET	318	 316 	SER	A	1	800 	IXN	A	A	12
FT	#HET	328	 326 	PRO	A	2	543 	CA	A	B	1
FT	#HET	329	 327 	GLU	A	2	543 	CA	A	B	3
FT	#HET	332	 330 	ASN	A	2	543 	CA	A	S	3
FT	#HET	332	 330 	ASN	A	4	545 	CA	A	B	2
FT	#HET	338	 336 	VAL	A	1	800 	IXN	A	A	6
FT	#HET	339	 337 	PHE	A	1	800 	IXN	A	A	11
FT	#HET	340	 338 	GLY	A	1	800 	IXN	A	B	28
FT	#HET	341	 339 	MET	A	1	800 	IXN	A	A	11
FT	#HET	342	 340 	ALA	A	1	800 	IXN	A	A	7
FT	#HET	351	 349 	LEU	A	5	546 	MPD	A	S	1
FT	#HET	362	 360 	GLN	A	1	800 	IXN	A	S	1
FT	#HET	422	 420 	ASP	A	1	800 	IXN	A	S	11
FT	#HET	434	 432 	VAL	A	1	800 	IXN	A	A	12
FT	#HET	435	 433 	VAL	A	1	800 	IXN	A	B	2
FT	#HET	436	 434 	GLY	A	1	800 	IXN	A	B	2
FT	#HET	439	 437 	LYS	A	6	800 	IXN	B	S	4
FT	DISORDER	1	4
FT	DISORDER	202	203
FT	DISORDER	440	544
CC	SEQUENCE	433 AA (ATOM);
CC	KQLIEFVRWS PERAQHYRNK GYWIDQPLTR ILTVGVQSHP HSLAIICGER QLSYIELDRL
CC	STNLATRLAE KGLGKGDTAL VQLPNVAEFY IVFFALLKAG VVVLNALYSH RQYELNAFIK
CC	QIQPKLLIGS RQHEVFSNNQ FIDSLHDVNL SPEIILMLNH QATDFGLLDW IETPAETFVD
CC	FSSTPADEVA FFQLSGGGTP KLIPRTHNDY DYSVRASAEI CGLNSNTRLL CALPAPHNFM
CC	LSSPGALGVL HAGGCVVMAP NPEPLNCFSI IQRHQVNMAS LVPSAVIMWL EKAAQYKDQI
CC	QSLKLLQVGG ASFPESLARQ VPEVLNCKLQ QVFGMAEGLV NYTRLDDSDE QIFTTQGRPI
CC	SSDDEIKIVD EQYREVPEGE IGMLATRGPY TFCGYYQSPE HNSQVFDEDN YYYSGDLVQR
CC	TPDGNLRVVG RIK
CC	!----
CC	ALIGNMENT OF SEQRES AND ATOMRES
CC	SEQRES GHMKKQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAII
CC	ATOM   ----KQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAII
CC	           **********************************************
CC	SEQRES CGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFAL
CC	ATOM   CGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFAL
CC	       **************************************************
CC	SEQRES LKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLH
CC	ATOM   LKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLH
CC	       **************************************************
CC	SEQRES DVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG
CC	ATOM   DVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG
CC	       **************************************************
CC	SEQRES GSTGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSP
CC	ATOM   G--GTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSP
CC	       *  ***********************************************
CC	SEQRES GALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAA
CC	ATOM   GALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAA
CC	       **************************************************
CC	SEQRES QYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTR
CC	ATOM   QYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTR
CC	       **************************************************
CC	SEQRES LDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCG
CC	ATOM   LDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCG
CC	       **************************************************
CC	SEQRES YYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIKDQINRGGEKIA
CC	ATOM   YYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIK-----------
CC	       ***************************************           
CC	SEQRES SEEIEKLILLHPEVMHAALVAIVDEQFGEKSCAFIVSRNPELKAVVLRRH
CC	ATOM   --------------------------------------------------
CC	                                                         
CC	SEQRES LMELGIAQYKLPDQIKLIESLPLTAVGKVDKKQLRSILNTSTTS
CC	ATOM   --------------------------------------------
CC	                                                   
SQ	SEQUENCE	544 AA;      MW;         CN;
	GHMKKQLIEF VRWSPERAQH YRNKGYWIDQ PLTRILTVGV QSHPHSLAII CGERQLSYIE
	LDRLSTNLAT RLAEKGLGKG DTALVQLPNV AEFYIVFFAL LKAGVVVLNA LYSHRQYELN
	AFIKQIQPKL LIGSRQHEVF SNNQFIDSLH DVNLSPEIIL MLNHQATDFG LLDWIETPAE
	TFVDFSSTPA DEVAFFQLSG GSTGTPKLIP RTHNDYDYSV RASAEICGLN SNTRLLCALP
	APHNFMLSSP GALGVLHAGG CVVMAPNPEP LNCFSIIQRH QVNMASLVPS AVIMWLEKAA
	QYKDQIQSLK LLQVGGASFP ESLARQVPEV LNCKLQQVFG MAEGLVNYTR LDDSDEQIFT
	TQGRPISSDD EIKIVDEQYR EVPEGEIGML ATRGPYTFCG YYQSPEHNSQ VFDEDNYYYS
	GDLVQRTPDG NLRVVGRIKD QINRGGEKIA SEEIEKLILL HPEVMHAALV AIVDEQFGEK
	SCAFIVSRNP ELKAVVLRRH LMELGIAQYK LPDQIKLIES LPLTAVGKVD KKQLRSILNT
	STTS
//
ID	3O83B	STANDARD;	PRT;	544	AA.
DT	CONVERTED FROM PDB (SEQRES) 3O83
DE	Peptide arylation enzyme
OS	Acinetobacter baumannii
CC	EXPDTA	X-RAY DIFFRACTION
CC	RESOLU	1.900
CC	R-Factor	0.195
FT	#SUB	117	 115 	TYR	B	293	 291 	ILE	A	Protein	S	1
FT	#SUB	117	 115 	TYR	B	294	 292 	MET	A	Protein	S	3
FT	#SUB	117	 115 	TYR	B	297	 295 	GLU	A	Protein	S	3
FT	#SUB	203	 201 	THR	B	290	 288 	SER	A	Protein	B	2
FT	#SUB	204	 202 	GLY	B	293	 291 	ILE	A	Protein	B	2
FT	#SUB	293	 291 	ILE	B	117	 115 	TYR	A	Protein	A	4
FT	#SUB	293	 291 	ILE	B	204	 202 	GLY	A	Protein	S	1
FT	#SUB	294	 292 	MET	B	117	 115 	TYR	A	Protein	A	4
FT	#SUB	297	 295 	GLU	B	117	 115 	TYR	A	Protein	S	3
FT	#SUB	318	 316 	SER	B	439	 437 	LYS	A	Protein	S	2
FT	#SUB	423	 421 	LEU	B	423	 421 	LEU	A	Protein	S	1
FT	#SUB	434	 432 	VAL	B	439	 437 	LYS	A	Protein	B	2
FT	#SUB	435	 433 	VAL	B	438	 436 	ILE	A	Protein	A	5
FT	#SUB	435	 433 	VAL	B	439	 437 	LYS	A	Protein	B	2
FT	#SUB	436	 434 	GLY	B	437	 435 	ARG	A	Protein	B	2
FT	#SUB	437	 435 	ARG	B	436	 434 	GLY	A	Protein	B	2
FT	#SUB	437	 435 	ARG	B	437	 435 	ARG	A	Protein	B	9
FT	#SUB	438	 436 	ILE	B	435	 433 	VAL	A	Protein	A	4
FT	#SUB	439	 437 	LYS	B	318	 316 	SER	A	Protein	S	4
FT	#SUB	439	 437 	LYS	B	434	 432 	VAL	A	Protein	S	2
FT	#SUB	439	 437 	LYS	B	435	 433 	VAL	A	Protein	A	2
FT	#HET	55	  53 	GLN	B	8	544 	CA	B	B	2
FT	#HET	60	  58 	GLU	B	8	544 	CA	B	S	3
FT	#HET	76	  74 	GLY	B	9	545 	CA	B	B	3
FT	#HET	200	 198 	GLY	B	6	800 	IXN	B	B	2
FT	#HET	227	 225 	CYS	B	10	546 	MRD	B	B	2
FT	#HET	229	 227 	LEU	B	10	546 	MRD	B	S	1
FT	#HET	233	 231 	THR	B	10	546 	MRD	B	A	5
FT	#HET	243	 241 	HIS	B	6	800 	IXN	B	S	7
FT	#HET	244	 242 	ASN	B	6	800 	IXN	B	S	5
FT	#HET	245	 243 	PHE	B	6	800 	IXN	B	A	13
FT	#HET	249	 247 	SER	B	6	800 	IXN	B	S	4
FT	#HET	283	 281 	ASN	B	10	546 	MRD	B	A	5
FT	#HET	284	 282 	MET	B	10	546 	MRD	B	S	1
FT	#HET	307	 305 	GLN	B	7	543 	CA	B	B	2
FT	#HET	309	 307 	LEU	B	7	543 	CA	B	B	2
FT	#HET	310	 308 	LYS	B	10	546 	MRD	B	S	1
FT	#HET	316	 314 	GLY	B	6	800 	IXN	B	B	21
FT	#HET	317	 315 	ALA	B	6	800 	IXN	B	B	16
FT	#HET	318	 316 	SER	B	6	800 	IXN	B	A	11
FT	#HET	332	 330 	ASN	B	7	543 	CA	B	B	2
FT	#HET	338	 336 	VAL	B	6	800 	IXN	B	A	6
FT	#HET	339	 337 	PHE	B	6	800 	IXN	B	A	10
FT	#HET	340	 338 	GLY	B	6	800 	IXN	B	B	26
FT	#HET	341	 339 	MET	B	6	800 	IXN	B	A	10
FT	#HET	342	 340 	ALA	B	6	800 	IXN	B	A	7
FT	#HET	351	 349 	LEU	B	10	546 	MRD	B	S	1
FT	#HET	362	 360 	GLN	B	6	800 	IXN	B	S	1
FT	#HET	421	 419 	GLY	B	1	800 	IXN	A	B	2
FT	#HET	422	 420 	ASP	B	6	800 	IXN	B	S	11
FT	#HET	434	 432 	VAL	B	6	800 	IXN	B	A	13
FT	#HET	435	 433 	VAL	B	6	800 	IXN	B	B	2
FT	#HET	436	 434 	GLY	B	6	800 	IXN	B	B	1
FT	#HET	437	 435 	ARG	B	1	800 	IXN	A	S	2
FT	#HET	437	 435 	ARG	B	6	800 	IXN	B	S	2
FT	#HET	438	 436 	ILE	B	1	800 	IXN	A	B	2
FT	#HET	439	 437 	LYS	B	1	800 	IXN	A	S	5
FT	DISORDER	1	4
FT	DISORDER	441	544
CC	SEQUENCE	436 AA (ATOM);
CC	KQLIEFVRWS PERAQHYRNK GYWIDQPLTR ILTVGVQSHP HSLAIICGER QLSYIELDRL
CC	STNLATRLAE KGLGKGDTAL VQLPNVAEFY IVFFALLKAG VVVLNALYSH RQYELNAFIK
CC	QIQPKLLIGS RQHEVFSNNQ FIDSLHDVNL SPEIILMLNH QATDFGLLDW IETPAETFVD
CC	FSSTPADEVA FFQLSGGSTG TPKLIPRTHN DYDYSVRASA EICGLNSNTR LLCALPAPHN
CC	FMLSSPGALG VLHAGGCVVM APNPEPLNCF SIIQRHQVNM ASLVPSAVIM WLEKAAQYKD
CC	QIQSLKLLQV GGASFPESLA RQVPEVLNCK LQQVFGMAEG LVNYTRLDDS DEQIFTTQGR
CC	PISSDDEIKI VDEQYREVPE GEIGMLATRG PYTFCGYYQS PEHNSQVFDE DNYYYSGDLV
CC	QRTPDGNLRV VGRIKD
CC	!----
CC	ALIGNMENT OF SEQRES AND ATOMRES
CC	SEQRES GHMKKQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAII
CC	ATOM   ----KQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAII
CC	           **********************************************
CC	SEQRES CGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFAL
CC	ATOM   CGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFAL
CC	       **************************************************
CC	SEQRES LKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLH
CC	ATOM   LKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLH
CC	       **************************************************
CC	SEQRES DVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG
CC	ATOM   DVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG
CC	       **************************************************
CC	SEQRES GSTGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSP
CC	ATOM   GSTGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSP
CC	       **************************************************
CC	SEQRES GALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAA
CC	ATOM   GALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAA
CC	       **************************************************
CC	SEQRES QYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTR
CC	ATOM   QYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTR
CC	       **************************************************
CC	SEQRES LDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCG
CC	ATOM   LDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCG
CC	       **************************************************
CC	SEQRES YYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIKDQINRGGEKIA
CC	ATOM   YYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIKD----------
CC	       ****************************************          
CC	SEQRES SEEIEKLILLHPEVMHAALVAIVDEQFGEKSCAFIVSRNPELKAVVLRRH
CC	ATOM   --------------------------------------------------
CC	                                                         
CC	SEQRES LMELGIAQYKLPDQIKLIESLPLTAVGKVDKKQLRSILNTSTTS
CC	ATOM   --------------------------------------------
CC	                                                   
SQ	SEQUENCE	544 AA;      MW;         CN;
	GHMKKQLIEF VRWSPERAQH YRNKGYWIDQ PLTRILTVGV QSHPHSLAII CGERQLSYIE
	LDRLSTNLAT RLAEKGLGKG DTALVQLPNV AEFYIVFFAL LKAGVVVLNA LYSHRQYELN
	AFIKQIQPKL LIGSRQHEVF SNNQFIDSLH DVNLSPEIIL MLNHQATDFG LLDWIETPAE
	TFVDFSSTPA DEVAFFQLSG GSTGTPKLIP RTHNDYDYSV RASAEICGLN SNTRLLCALP
	APHNFMLSSP GALGVLHAGG CVVMAPNPEP LNCFSIIQRH QVNMASLVPS AVIMWLEKAA
	QYKDQIQSLK LLQVGGASFP ESLARQVPEV LNCKLQQVFG MAEGLVNYTR LDDSDEQIFT
	TQGRPISSDD EIKIVDEQYR EVPEGEIGML ATRGPYTFCG YYQSPEHNSQ VFDEDNYYYS
	GDLVQRTPDG NLRVVGRIKD QINRGGEKIA SEEIEKLILL HPEVMHAALV AIVDEQFGEK
	SCAFIVSRNP ELKAVVLRRH LMELGIAQYK LPDQIKLIES LPLTAVGKVD KKQLRSILNT
	STTS
//