ID	4KUFA	STANDARD;	PRT;	445	AA.
DT	CONVERTED FROM PDB (SEQRES) 4KUF
DE	Botulinum neurotoxin A light chain
OS	Clostridium botulinum A
CC	EXPDTA	X-RAY DIFFRACTION
CC	RESOLU	1.700
CC	R-Factor	0.183
FT	#HET	20	   0 	HIS	A	7	507 	GOL	A	S	11
FT	#HET	34	  14 	VAL	A	12	512 	EDO	A	S	1
FT	#HET	59	  39 	HIS	A	2	502 	DMS	A	S	4
FT	#HET	100	  80 	THR	A	16	516 	EDO	A	A	6
FT	#HET	101	  81 	ASP	A	16	516 	EDO	A	A	10
FT	#HET	117	  97 	ARG	A	6	506 	LMR	A	S	1
FT	#HET	119	  99 	TYR	A	7	507 	GOL	A	A	13
FT	#HET	120	 100 	SER	A	7	507 	GOL	A	B	5
FT	#HET	121	 101 	THR	A	6	506 	LMR	A	S	2
FT	#HET	121	 101 	THR	A	7	507 	GOL	A	B	1
FT	#HET	122	 102 	ASP	A	7	507 	GOL	A	S	1
FT	#HET	125	 105 	ARG	A	7	507 	GOL	A	S	7
FT	#HET	129	 109 	THR	A	2	502 	DMS	A	A	4
FT	#HET	130	 110 	SER	A	9	509 	EDO	A	S	3
FT	#HET	132	 112 	VAL	A	2	502 	DMS	A	S	3
FT	#HET	158	 138 	ILE	A	12	512 	EDO	A	S	1
FT	#HET	159	 139 	GLN	A	12	512 	EDO	A	B	3
FT	#HET	160	 140 	PRO	A	12	512 	EDO	A	B	1
FT	#HET	176	 156 	PRO	A	10	510 	EDO	A	S	2
FT	#HET	180	 160 	ILE	A	10	510 	EDO	A	B	3
FT	#HET	185	 165 	0QL	A	13	513 	EDO	A	S	5
FT	#HET	208	 188 	PHE	A	10	510 	EDO	A	A	6
FT	#HET	209	 189 	SER	A	10	510 	EDO	A	A	7
FT	#HET	243	 223 	HIS	A	1	501 	ZN	A	S	3
FT	#HET	247	 227 	HIS	A	1	501 	ZN	A	S	3
FT	#HET	253	 233 	TYR	A	9	509 	EDO	A	S	1
FT	#HET	258	 238 	ASN	A	3	503 	DMS	A	A	3
FT	#HET	261	 241 	ARG	A	3	503 	DMS	A	S	1
FT	#HET	271	 251 	TYR	A	13	513 	EDO	A	S	1
FT	#HET	282	 262 	GLU	A	1	501 	ZN	A	S	3
FT	#HET	286	 266 	PHE	A	17	517 	NA	A	S	1
FT	#HET	302	 282 	PHE	A	3	503 	DMS	A	S	1
FT	#HET	305	 285 	TYR	A	3	503 	DMS	A	S	4
FT	#HET	306	 286 	TYR	A	3	503 	DMS	A	S	4
FT	#HET	355	 335 	LYS	A	8	508 	EDO	A	A	3
FT	#HET	359	 339 	ASP	A	8	508 	EDO	A	S	3
FT	#HET	360	 340 	LYS	A	5	505 	DMS	A	S	4
FT	#HET	364	 344 	MET	A	9	509 	EDO	A	S	1
FT	#HET	372	 352 	ASP	A	17	517 	NA	A	A	3
FT	#HET	375	 355 	VAL	A	17	517 	NA	A	S	3
FT	#HET	377	 357 	PHE	A	6	506 	LMR	A	B	4
FT	#HET	378	 358 	PHE	A	6	506 	LMR	A	B	3
FT	#HET	379	 359 	LYS	A	6	506 	LMR	A	S	10
FT	#HET	382	 362 	ASN	A	17	517 	NA	A	S	1
FT	#HET	383	 363 	ARG	A	17	517 	NA	A	B	1
FT	#HET	388	 368 	ASN	A	13	513 	EDO	A	B	1
FT	#HET	389	 369 	PHE	A	13	513 	EDO	A	A	4
FT	#HET	390	 370 	ASP	A	13	513 	EDO	A	A	4
FT	#HET	395	 375 	LYS	A	4	504 	DMS	A	A	4
FT	#HET	396	 376 	ILE	A	4	504 	DMS	A	B	2
FT	#HET	397	 377 	ASN	A	4	504 	DMS	A	B	1
FT	#HET	406	 386 	ILE	A	6	506 	LMR	A	B	1
FT	#HET	407	 387 	TYR	A	6	506 	LMR	A	A	8
FT	#HET	420	 400 	ASN	A	11	511 	EDO	A	S	4
FT	#HET	422	 402 	ASN	A	11	511 	EDO	A	S	6
FT	#HET	430	 410 	ASN	A	18	518 	NA	A	A	3
FT	#HET	431	 411 	MET	A	4	504 	DMS	A	B	1
FT	#HET	432	 412 	ASN	A	4	504 	DMS	A	B	3
FT	#HET	433	 413 	PHE	A	4	504 	DMS	A	B	1
FT	#HET	433	 413 	PHE	A	18	518 	NA	A	B	2
FT	#HET	434	 414 	THR	A	4	504 	DMS	A	S	1
FT	#HET	435	 415 	LYS	A	14	514 	EDO	A	B	2
FT	#HET	436	 416 	LEU	A	14	514 	EDO	A	B	2
FT	#HET	436	 416 	LEU	A	15	515 	EDO	A	B	3
FT	#HET	438	 418 	ASN	A	14	514 	EDO	A	S	1
FT	#HET	443	 423 	PHE	A	13	513 	EDO	A	S	2
FT	DISORDER	1	19
CC	SEQUENCE	426 AA (ATOM);
CC	HMPFVNKQFN YKDPVNGVDI AYIKIPNAGQ MQPVKAFKIH NKIWVIPERD TFTNPEEGDL
CC	NPPPEAKQVP VSYYDSTYLS TDNEKDNYLK GVTKLFERIY STDLGRMLLT SIVRGIPFWG
CC	GSTIDTELKV IDTNSINVIQ PDGSYRSEEL NLVIIGPSAD IIQFEXKSFG HEVLNLTRNG
CC	YGSTQYIRFS PDFTFGFEES LEVDTNPLLG AGKFATDPAV TLAHELIHAG HRLYGIAINP
CC	NRVFKVNTNA YYEMSGLEVS FEELRTFGGH DAKFIDSLQE NEFRLYYYNK FKDIASTLNK
CC	AKSIVGTTAS LQYMKNVFKE KYLLSEDTSG KFSVDKLKFD KLYKMLTEIY TEDNFVKFFK
CC	VLNRKTYLNF DKAVFKINIV PKVNYTIYDG FNLRNTNLAA NFNGQNTEIN NMNFTKLKNF
CC	TGLFEF
CC	!----
CC	ALIGNMENT OF SEQRES AND ATOMRES
CC	SEQRES MGSSHHHHHHSSGLVPRGSHMPFVNKQFNYKDPVNGVDIAYIKIPNAGQM
CC	ATOM   -------------------HMPFVNKQFNYKDPVNGVDIAYIKIPNAGQM
CC	                          *******************************
CC	SEQRES QPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLST
CC	ATOM   QPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLST
CC	       **************************************************
CC	SEQRES DNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVI
CC	ATOM   DNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVI
CC	       **************************************************
CC	SEQRES DTNSINVIQPDGSYRSEELNLVIIGPSADIIQFEXKSFGHEVLNLTRNGY
CC	ATOM   DTNSINVIQPDGSYRSEELNLVIIGPSADIIQFEXKSFGHEVLNLTRNGY
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
	IQFEXKSFGH 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
//