4FVV: HCR/D-Sa-GBL1/C

Name: PDB 4FVV: Crystal structure of HCR/D-Sa-GBL1/C
Published: 2012-10-24
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: toxin

Crystal structure of HCR/D-Sa-GBL1/C. Determined by X-ray diffraction at 2.7 Å resolution. Released 24 Oct 2012.

Method: X-ray diffraction
Resolution: 2.7 Å
Organism: Clostridium botulinum
Chains: 2
Atoms: 6,985
Mol. weight: 98.68 kDa
Ligands: SIA
Released: 24 Oct 2012

Explore 4FVV in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4FVV contains 19 α-helices and 72 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 36 β-strands

Element	Residues	Length	Sheet
α-helix	865-867	3
β-strand	868-875	8	1
β-strand	878-881	4	1
β-strand	888-892	5	2
β-strand	894	1	3
β-strand	896-897	2	1
β-strand	905-908	4	1
β-strand	914	1	3
β-strand	916-920	5	2
α-helix	926-931	6
β-strand	933-943	11	1
α-helix	949-951	3
β-strand	952-958	7	2
β-strand	963-968	6	2
β-strand	972-978	7	2
β-strand	984-990	7	2
α-helix	993-995	3
β-strand	1004-1011	8	1
β-strand	1015-1020	6	1
β-strand	1023-1029	7	1
β-strand	1041-1048	8	2
β-strand	1063-1072	10	1
α-helix	1078-1087	10
β-strand	1093	1	4
β-strand	1095	1	5
β-strand	1101	1	5
α-helix	1102	1
β-strand	1103	1	6
β-strand	1107-1112	6	7
α-helix	1113-1115	3
β-strand	1118-1123	6	7
β-strand	1126-1131	6	7
β-strand	1144-1150	7	7
β-strand	1157	1	6
β-strand	1159	1	4
β-strand	1163-1169	7	7
β-strand	1174-1179	6	7
β-strand	1190-1196	7	7
α-helix	1200-1206	7
β-strand	1209-1215	7	7
β-strand	1220-1227	8	7
β-strand	1234-1245	12	7
β-strand	1254-1263	10	7
α-helix	1273-1275	3
β-strand	1277-1281	5	7

Chain B: 10 helices, 36 β-strands

Element	Residues	Length	Sheet
α-helix	865-867	3
β-strand	868-874	7	8
β-strand	879-881	3	8
β-strand	888-892	5	9
β-strand	894	1	10
β-strand	896-897	2	8
β-strand	905-908	4	8
β-strand	914	1	10
β-strand	916-920	5	9
α-helix	925-931	7
β-strand	933-943	11	8
α-helix	949-951	3
β-strand	952-958	7	9
β-strand	963-969	7	9
β-strand	972-978	7	9
β-strand	985-990	6	9
β-strand	1004-1011	8	8
β-strand	1015-1020	6	8
β-strand	1023-1029	7	8
β-strand	1041-1048	8	9
α-helix	1049	1
β-strand	1063-1072	10	8
α-helix	1078-1087	10
β-strand	1093	1	11
β-strand	1095	1	12
β-strand	1101	1	12
α-helix	1102	1
β-strand	1103	1	13
β-strand	1107-1112	6	14
α-helix	1113-1115	3
β-strand	1118-1123	6	15
β-strand	1126-1131	6	15
β-strand	1144-1150	7	14
β-strand	1157	1	13
β-strand	1159	1	11
β-strand	1163-1169	7	14
β-strand	1174-1179	6	14
β-strand	1190-1196	7	14
α-helix	1200-1202	3
α-helix	1203-1207	5
β-strand	1209-1215	7	14
β-strand	1220-1227	8	14
β-strand	1234-1245	12	14
β-strand	1254-1263	10	14
α-helix	1273-1275	3
β-strand	1277-1281	5	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Neurotoxin	A, B	protein	423	Clostridium botulinum	Q9LBR1

Sequence of entity 1 (A, B), FASTA

>4FVV_1 Neurotoxin (chains A, B)
NSINDSKILSLQNKKNTLMDTSGYNAEVRVEGNVQLNPIFPFDFKLGSSGDDRGKVIVTQ
NENIVYNAMYESFSISFWIRINKWVSNLPGYTIIDSVKNNSGWSIGIISNFLVFTLKQNE
NSEQDINFSYDISKNAAGYNKWFFVTITTNMMGNMMIYINGKLIDTIKVKELTGINFSKT
ITFQMNKIPNTGLITSDSDNINMWIRDFYIFAKELDDKDINILFNSLQYTNVVKDYWGND
LRYDKEYYMINVNYMNRYMSKKGNGIVFNTRKNNNDFNEGYKIIIKRIRGNTNDTRVRGE
NVLYFNTTIDNKQYSLGMYKPSRNLGTDLVPLGALDQPMDEIRKYGSFIIQPCNTFDYYA
SQLFLSSNATTNRLGILSIGSYSFRLGGDWYRHEYLIPVIKIEHYASLLESTSTHWVFVP
ASE

Ligands and cofactors

ID	Name	Formula	Copies
SIA	N-acetyl-alpha-neuraminic acid	C11 H19 N O9	1

Water and common crystallization additives (GOL, SO4) are not listed.

Primary citation

Botulinum neurotoxin serotype C associates with dual ganglioside receptors to facilitate cell entry. Karalewitz, A.P., Fu, Z., Baldwin, M.R. et al. J Biol Chem (2012) 287:40806-40816. DOI 10.1074/jbc.M112.404244 · PubMed

Other PDB entries of the same protein (UniProt Q9LBR1), best resolution first:

3N7L 2.0 Å, Crystal structure of botulinum neurotoxin serotype D/C VPI 5993 binding domain
4ISR 2.59 Å, Binding domain of Botulinum neurotoxin DC in complex with rat synaptotagmin II
3N7M 2.6 Å, Crystal structure of W1252A mutant of HCR D/C VPI 5995
4ISQ 2.65 Å, Binding domain of Botulinum neurotoxin DC in complex with human synaptotagmin I
3AZW 2.99 Å, Crystal structure of the receptor binding domain
3AZV 3.1 Å, Crystal structure of the receptor binding domain

Browse structure collections

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