ID	4ELCA	STANDARD;	PRT;	445	AA.
DT	CONVERTED FROM PDB (SEQRES) 4ELC
DE	Botulinum neurotoxin A light chain
OS	Clostridium botulinum
CC	EXPDTA	X-RAY DIFFRACTION
CC	RESOLU	1.800
CC	R-Factor	0.172
FT	#HET	60	  40 	ASN	A	7	507 	SO4	A	S	2
FT	#HET	61	  41 	LYS	A	7	507 	SO4	A	S	4
FT	#HET	94	  74 	ASP	A	13	513 	LI	A	S	1
FT	#HET	96	  76 	THR	A	13	513 	LI	A	A	4
FT	#HET	97	  77 	TYR	A	13	513 	LI	A	B	2
FT	#HET	103	  83 	GLU	A	13	513 	LI	A	S	1
FT	#HET	183	 163 	PHE	A	4	504 	LMR	A	A	2
FT	#HET	185	 165 	0QL	A	4	504 	LMR	A	S	4
FT	#HET	187	 167 	SER	A	5	505 	DMS	A	S	1
FT	#HET	190	 170 	HIS	A	5	505 	DMS	A	S	8
FT	#HET	194	 174 	ASN	A	5	505 	DMS	A	A	9
FT	#HET	195	 175 	LEU	A	5	505 	DMS	A	B	2
FT	#HET	196	 176 	THR	A	5	505 	DMS	A	A	8
FT	#HET	197	 177 	ARG	A	5	505 	DMS	A	A	3
FT	#HET	214	 194 	PHE	A	2	502 	IMD	A	S	15
FT	#HET	230	 210 	ALA	A	8	508 	MPD	A	S	1
FT	#HET	243	 223 	HIS	A	1	501 	ZN	A	S	3
FT	#HET	243	 223 	HIS	A	4	504 	LMR	A	S	8
FT	#HET	244	 224 	GLU	A	4	504 	LMR	A	S	9
FT	#HET	247	 227 	HIS	A	1	501 	ZN	A	S	3
FT	#HET	247	 227 	HIS	A	4	504 	LMR	A	S	2
FT	#HET	257	 237 	ILE	A	11	511 	DMS	A	A	3
FT	#HET	258	 238 	ASN	A	11	511 	DMS	A	A	4
FT	#HET	271	 251 	TYR	A	3	503 	IMD	A	S	1
FT	#HET	282	 262 	GLU	A	1	501 	ZN	A	S	3
FT	#HET	282	 262 	GLU	A	4	504 	LMR	A	S	5
FT	#HET	302	 282 	PHE	A	11	511 	DMS	A	S	2
FT	#HET	305	 285 	TYR	A	11	511 	DMS	A	S	3
FT	#HET	306	 286 	TYR	A	11	511 	DMS	A	S	3
FT	#HET	332	 312 	TYR	A	7	507 	SO4	A	S	5
FT	#HET	360	 340 	LYS	A	6	506 	SO4	A	S	3
FT	#HET	383	 363 	ARG	A	2	502 	IMD	A	S	5
FT	#HET	383	 363 	ARG	A	3	503 	IMD	A	S	2
FT	#HET	383	 363 	ARG	A	4	504 	LMR	A	S	4
FT	#HET	386	 366 	TYR	A	3	503 	IMD	A	A	12
FT	#HET	386	 366 	TYR	A	4	504 	LMR	A	S	8
FT	#HET	388	 368 	ASN	A	3	503 	IMD	A	A	5
FT	#HET	390	 370 	ASP	A	2	502 	IMD	A	S	3
FT	#HET	390	 370 	ASP	A	3	503 	IMD	A	S	5
FT	#HET	395	 375 	LYS	A	10	510 	DMS	A	A	5
FT	#HET	396	 376 	ILE	A	10	510 	DMS	A	B	2
FT	#HET	405	 385 	THR	A	14	514 	LI	A	S	3
FT	#HET	408	 388 	ASP	A	14	514 	LI	A	S	3
FT	#HET	413	 393 	ARG	A	14	514 	LI	A	S	2
FT	#HET	419	 399 	ALA	A	9	509 	MPD	A	A	3
FT	#HET	420	 400 	ASN	A	9	509 	MPD	A	A	10
FT	#HET	421	 401 	PHE	A	9	509 	MPD	A	A	6
FT	#HET	430	 410 	ASN	A	12	512 	LI	A	B	2
FT	#HET	431	 411 	MET	A	10	510 	DMS	A	B	1
FT	#HET	432	 412 	ASN	A	10	510 	DMS	A	B	2
FT	#HET	433	 413 	PHE	A	10	510 	DMS	A	B	3
FT	#HET	433	 413 	PHE	A	12	512 	LI	A	B	2
FT	#HET	434	 414 	THR	A	10	510 	DMS	A	A	4
FT	#HET	434	 414 	THR	A	12	512 	LI	A	S	1
FT	#HET	435	 415 	LYS	A	8	508 	MPD	A	S	5
FT	#HET	438	 418 	ASN	A	8	508 	MPD	A	S	6
FT	DISORDER	1	12
CC	SEQUENCE	433 AA (ATOM);
CC	GLVPRGSHMP FVNKQFNYKD PVNGVDIAYI KIPNAGQMQP VKAFKIHNKI WVIPERDTFT
CC	NPEEGDLNPP PEAKQVPVSY YDSTYLSTDN EKDNYLKGVT KLFERIYSTD LGRMLLTSIV
CC	RGIPFWGGST IDTELKVIDT NSINVIQPDG SYRSEELNLV IIGPSADIIQ FEXKSFGHEV
CC	LNLTRNGYGS TQYIRFSPDF TFGFEESLEV DTNPLLGAGK FATDPAVTLA HELIHAGHRL
CC	YGIAINPNRV FKVNTNAYYE MSGLEVSFEE LRTFGGHDAK FIDSLQENEF RLYYYNKFKD
CC	IASTLNKAKS IVGTTASLQY MKNVFKEKYL LSEDTSGKFS VDKLKFDKLY KMLTEIYTED
CC	NFVKFFKVLN RKTYLNFDKA VFKINIVPKV NYTIYDGFNL RNTNLAANFN GQNTEINNMN
CC	FTKLKNFTGL FEF
CC	!----
CC	ALIGNMENT OF SEQRES AND ATOMRES
CC	SEQRES MGSSHHHHHHSSGLVPRGSHMPFVNKQFNYKDPVNGVDIAYIKIPNAGQM
CC	ATOM   ------------GLVPRGSHMPFVNKQFNYKDPVNGVDIAYIKIPNAGQM
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
//