ID	4KS6A	STANDARD;	PRT;	445	AA.
DT	CONVERTED FROM PDB (SEQRES) 4KS6
DE	Botulinum neurotoxin A light chain
OS	Clostridium botulinum A
CC	EXPDTA	X-RAY DIFFRACTION
CC	RESOLU	1.930
CC	R-Factor	0.196
FT	#SUB	182	 162 	GLN	A	1	   1 	MPT	B	Protein	B	1
FT	#SUB	183	 163 	PHE	A	1	   1 	MPT	B	Protein	B	2
FT	#SUB	183	 163 	PHE	A	2	   2 	DPP	B	Protein	B	1
FT	#SUB	183	 163 	PHE	A	3	   3 	DAR	B	Protein	B	2
FT	#SUB	183	 163 	PHE	A	4	   4 	GLY	B	Protein	A	7
FT	#SUB	183	 163 	PHE	A	5	   5 	DPN	B	Protein	S	4
FT	#SUB	184	 164 	GLU	A	1	   1 	MPT	B	Protein	B	3
FT	#SUB	184	 164 	GLU	A	2	   2 	DPP	B	Protein	B	1
FT	#SUB	185	 165 	CYS	A	1	   1 	MPT	B	Protein	A	6
FT	#SUB	214	 194 	PHE	A	3	   3 	DAR	B	Protein	S	11
FT	#SUB	235	 215 	THR	A	3	   3 	DAR	B	Protein	S	1
FT	#SUB	243	 223 	HIS	A	2	   2 	DPP	B	Protein	S	6
FT	#SUB	244	 224 	GLU	A	2	   2 	DPP	B	Protein	S	4
FT	#SUB	247	 227 	HIS	A	2	   2 	DPP	B	Protein	S	2
FT	#SUB	271	 251 	TYR	A	5	   5 	DPN	B	Protein	S	4
FT	#SUB	276	 256 	LEU	A	5	   5 	DPN	B	Protein	S	3
FT	#SUB	282	 262 	GLU	A	2	   2 	DPP	B	Protein	S	10
FT	#SUB	383	 363 	ARG	A	3	   3 	DAR	B	Protein	S	4
FT	#SUB	386	 366 	TYR	A	2	   2 	DPP	B	Protein	S	4
FT	#SUB	386	 366 	TYR	A	3	   3 	DAR	B	Protein	S	7
FT	#SUB	386	 366 	TYR	A	4	   4 	GLY	B	Protein	S	3
FT	#SUB	388	 368 	ASN	A	5	   5 	DPN	B	Protein	B	2
FT	#SUB	388	 368 	ASN	A	6	   6 	NH2	B	Protein	A	3
FT	#SUB	389	 369 	PHE	A	5	   5 	DPN	B	Protein	B	2
FT	#SUB	390	 370 	ASP	A	3	   3 	DAR	B	Protein	S	4
FT	#SUB	390	 370 	ASP	A	4	   4 	GLY	B	Protein	S	1
FT	#SUB	390	 370 	ASP	A	5	   5 	DPN	B	Protein	A	9
FT	#SUB	390	 370 	ASP	A	6	   6 	NH2	B	Protein	A	4
FT	#SUB	443	 423 	PHE	A	5	   5 	DPN	B	Protein	S	2
FT	#HET	26	   6 	LYS	A	5	505 	PEG	A	B	1
FT	#HET	27	   7 	GLN	A	5	505 	PEG	A	A	6
FT	#HET	28	   8 	PHE	A	5	505 	PEG	A	A	8
FT	#HET	34	  14 	VAL	A	9	509 	EDO	A	S	2
FT	#HET	41	  21 	TYR	A	9	509 	EDO	A	S	1
FT	#HET	109	  89 	LYS	A	5	505 	PEG	A	A	3
FT	#HET	112	  92 	THR	A	5	505 	PEG	A	S	7
FT	#HET	158	 138 	ILE	A	9	509 	EDO	A	S	1
FT	#HET	159	 139 	GLN	A	9	509 	EDO	A	B	2
FT	#HET	160	 140 	PRO	A	9	509 	EDO	A	B	1
FT	#HET	180	 160 	ILE	A	10	510 	EDO	A	B	2
FT	#HET	208	 188 	PHE	A	10	510 	EDO	A	A	5
FT	#HET	209	 189 	SER	A	10	510 	EDO	A	B	5
FT	#HET	214	 194 	PHE	A	10	510 	EDO	A	S	1
FT	#HET	232	 212 	LYS	A	11	511 	EDO	A	S	4
FT	#HET	243	 223 	HIS	A	1	501 	ZN	A	S	3
FT	#HET	244	 224 	GLU	A	1	501 	ZN	A	S	1
FT	#HET	247	 227 	HIS	A	1	501 	ZN	A	S	3
FT	#HET	257	 237 	ILE	A	8	508 	PGO	A	A	3
FT	#HET	258	 238 	ASN	A	8	508 	PGO	A	A	3
FT	#HET	282	 262 	GLU	A	1	501 	ZN	A	S	3
FT	#HET	302	 282 	PHE	A	8	508 	PGO	A	S	2
FT	#HET	303	 283 	ARG	A	6	506 	PGO	A	S	7
FT	#HET	304	 284 	LEU	A	6	506 	PGO	A	A	2
FT	#HET	305	 285 	TYR	A	8	508 	PGO	A	S	2
FT	#HET	306	 286 	TYR	A	8	508 	PGO	A	S	5
FT	#HET	307	 287 	TYR	A	6	506 	PGO	A	S	3
FT	#HET	355	 335 	LYS	A	6	506 	PGO	A	S	1
FT	#HET	358	 338 	PHE	A	6	506 	PGO	A	S	2
FT	#HET	359	 339 	ASP	A	6	506 	PGO	A	S	6
FT	#HET	395	 375 	LYS	A	2	502 	SO4	A	A	6
FT	#HET	396	 376 	ILE	A	2	502 	SO4	A	B	4
FT	#HET	397	 377 	ASN	A	2	502 	SO4	A	B	1
FT	#HET	403	 383 	ASN	A	7	507 	GOL	A	S	6
FT	#HET	420	 400 	ASN	A	3	503 	GOL	A	S	8
FT	#HET	422	 402 	ASN	A	3	503 	GOL	A	S	7
FT	#HET	425	 405 	ASN	A	11	511 	EDO	A	S	2
FT	#HET	427	 407 	GLU	A	11	511 	EDO	A	S	5
FT	#HET	428	 408 	ILE	A	3	503 	GOL	A	S	1
FT	#HET	428	 408 	ILE	A	11	511 	EDO	A	S	2
FT	#HET	431	 411 	MET	A	7	507 	GOL	A	A	9
FT	#HET	432	 412 	ASN	A	2	502 	SO4	A	B	2
FT	#HET	432	 412 	ASN	A	7	507 	GOL	A	S	4
FT	#HET	433	 413 	PHE	A	2	502 	SO4	A	B	3
FT	#HET	434	 414 	THR	A	2	502 	SO4	A	A	5
FT	#HET	435	 415 	LYS	A	4	504 	GOL	A	A	4
FT	#HET	436	 416 	LEU	A	4	504 	GOL	A	B	3
FT	DISORDER	1	17
CC	SEQUENCE	428 AA (ATOM);
CC	GSHMPFVNKQ FNYKDPVNGV DIAYIKIPNA GQMQPVKAFK IHNKIWVIPE RDTFTNPEEG
CC	DLNPPPEAKQ VPVSYYDSTY LSTDNEKDNY LKGVTKLFER IYSTDLGRML LTSIVRGIPF
CC	WGGSTIDTEL KVIDTNSINV IQPDGSYRSE ELNLVIIGPS ADIIQFECKS FGHEVLNLTR
CC	NGYGSTQYIR FSPDFTFGFE ESLEVDTNPL LGAGKFATDP AVTLAHELIH AGHRLYGIAI
CC	NPNRVFKVNT NAYYEMSGLE VSFEELRTFG GHDAKFIDSL QENEFRLYYY NKFKDIASTL
CC	NKAKSIVGTT ASLQYMKNVF KEKYLLSEDT SGKFSVDKLK FDKLYKMLTE IYTEDNFVKF
CC	FKVLNRKTYL NFDKAVFKIN IVPKVNYTIY DGFNLRNTNL AANFNGQNTE INNMNFTKLK
CC	NFTGLFEF
CC	!----
CC	ALIGNMENT OF SEQRES AND ATOMRES
CC	SEQRES MGSSHHHHHHSSGLVPRGSHMPFVNKQFNYKDPVNGVDIAYIKIPNAGQM
CC	ATOM   -----------------GSHMPFVNKQFNYKDPVNGVDIAYIKIPNAGQM
CC	                        *********************************
CC	SEQRES QPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLST
CC	ATOM   QPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLST
CC	       **************************************************
CC	SEQRES DNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVI
CC	ATOM   DNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVI
CC	       **************************************************
CC	SEQRES DTNSINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGY
CC	ATOM   DTNSINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGY
CC	       **************************************************
CC	SEQRES GSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGH
CC	ATOM   GSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGH
CC	       **************************************************
CC	SEQRES RLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQEN
CC	ATOM   RLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQEN
CC	       **************************************************
CC	SEQRES EFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGK
CC	ATOM   EFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGK
CC	       **************************************************
CC	SEQRES FSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNFDKAVFKINIVP
CC	ATOM   FSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNFDKAVFKINIVP
CC	       **************************************************
CC	SEQRES KVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLFEF
CC	ATOM   KVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLFEF
CC	       *********************************************
SQ	SEQUENCE	445 AA;      MW;         CN;
	MGSSHHHHHH SSGLVPRGSH MPFVNKQFNY KDPVNGVDIA YIKIPNAGQM QPVKAFKIHN
	KIWVIPERDT FTNPEEGDLN PPPEAKQVPV SYYDSTYLST DNEKDNYLKG VTKLFERIYS
	TDLGRMLLTS IVRGIPFWGG STIDTELKVI DTNSINVIQP DGSYRSEELN LVIIGPSADI
	IQFECKSFGH EVLNLTRNGY GSTQYIRFSP DFTFGFEESL EVDTNPLLGA GKFATDPAVT
	LAHELIHAGH RLYGIAINPN RVFKVNTNAY YEMSGLEVSF EELRTFGGHD AKFIDSLQEN
	EFRLYYYNKF KDIASTLNKA KSIVGTTASL QYMKNVFKEK YLLSEDTSGK FSVDKLKFDK
	LYKMLTEIYT EDNFVKFFKV LNRKTYLNFD KAVFKINIVP KVNYTIYDGF NLRNTNLAAN
	FNGQNTEINN MNFTKLKNFT GLFEF
//
ID	4KS6B	STANDARD;	PRT;	6	AA.
DT	CONVERTED FROM PDB (SEQRES) 4KS6
DE	Peptide inhibitor MPT-DPP-DAR-G-DPN-NH2
OS	syntetic
CC	EXPDTA	X-RAY DIFFRACTION
CC	RESOLU	1.930
CC	R-Factor	0.196
FT	#SUB	1	   1 	MPT	B	182	 162 	GLN	A	Protein	B	1
FT	#SUB	1	   1 	MPT	B	183	 163 	PHE	A	Protein	B	2
FT	#SUB	1	   1 	MPT	B	184	 164 	GLU	A	Protein	B	3
FT	#SUB	1	   1 	MPT	B	185	 165 	CYS	A	Protein	A	6
FT	#SUB	2	   2 	DPP	B	183	 163 	PHE	A	Protein	S	1
FT	#SUB	2	   2 	DPP	B	184	 164 	GLU	A	Protein	S	1
FT	#SUB	2	   2 	DPP	B	243	 223 	HIS	A	Protein	B	6
FT	#SUB	2	   2 	DPP	B	244	 224 	GLU	A	Protein	B	4
FT	#SUB	2	   2 	DPP	B	247	 227 	HIS	A	Protein	B	2
FT	#SUB	2	   2 	DPP	B	282	 262 	GLU	A	Protein	A	10
FT	#SUB	2	   2 	DPP	B	386	 366 	TYR	A	Protein	B	4
FT	#SUB	3	   3 	DAR	B	183	 163 	PHE	A	Protein	B	2
FT	#SUB	3	   3 	DAR	B	214	 194 	PHE	A	Protein	S	11
FT	#SUB	3	   3 	DAR	B	235	 215 	THR	A	Protein	S	1
FT	#SUB	3	   3 	DAR	B	383	 363 	ARG	A	Protein	A	4
FT	#SUB	3	   3 	DAR	B	386	 366 	TYR	A	Protein	B	7
FT	#SUB	3	   3 	DAR	B	390	 370 	ASP	A	Protein	S	4
FT	#SUB	4	   4 	GLY	B	183	 163 	PHE	A	Protein	B	7
FT	#SUB	4	   4 	GLY	B	386	 366 	TYR	A	Protein	B	3
FT	#SUB	4	   4 	GLY	B	390	 370 	ASP	A	Protein	B	1
FT	#SUB	5	   5 	DPN	B	183	 163 	PHE	A	Protein	S	4
FT	#SUB	5	   5 	DPN	B	271	 251 	TYR	A	Protein	S	4
FT	#SUB	5	   5 	DPN	B	276	 256 	LEU	A	Protein	S	3
FT	#SUB	5	   5 	DPN	B	388	 368 	ASN	A	Protein	B	2
FT	#SUB	5	   5 	DPN	B	389	 369 	PHE	A	Protein	B	2
FT	#SUB	5	   5 	DPN	B	390	 370 	ASP	A	Protein	B	9
FT	#SUB	5	   5 	DPN	B	443	 423 	PHE	A	Protein	B	2
FT	#SUB	6	   6 	NH2	B	388	 368 	ASN	A	Protein	B	3
FT	#SUB	6	   6 	NH2	B	390	 370 	ASP	A	Protein	B	4
FT	#HET	2	   2 	DPP	B	1	501 	ZN	A	A	5
CC	SEQUENCE	6 AA (ATOM);
CC	XXXGXX
CC	!----
CC	ALIGNMENT OF SEQRES AND ATOMRES
CC	SEQRES XXXGXX
CC	ATOM   XXXGXX
CC	       ******
SQ	SEQUENCE	6 AA;      MW;         CN;
	XXXGXX
//