Structure of PDB 1gyo Chain A Binding Site BS04
Receptor Information
>1gyo Chain A (length=106) Species:
879
(Megalodesulfovibrio gigas) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
LDVPCKVVITAPEGEDPHPRFGKVEMSHAKHRNVSCVSCHHMFDGCGDFQ
KCADCHIDRDDRSYERGFYKAWHSESEISCRGCHKAMKAKNEQTGPIGCL
QGCHEA
Ligand information
Ligand ID
HEC
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKey
HXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0
CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341
C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341
CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
Formula
C34 H34 Fe N4 O4
Name
HEME C
ChEMBL
DrugBank
ZINC
PDB chain
1gyo Chain A Residue 114 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
1gyo
Structure of Dimeric Cytochrome C3 from Desulfovibrio Gigas at 1.2 A Resolution
Resolution
1.2 Å
Binding residue
(original residue number in PDB)
I9 H18 F21 G22 K23 V24 R59 F68 Y69 W72 H73 C80 R81 H84 P96 I97 C99 C103 H104
Binding residue
(residue number reindexed from 1)
I9 H18 F21 G22 K23 V24 R59 F68 Y69 W72 H73 C80 R81 H84 P96 I97 C99 C103 H104
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0009055
electron transfer activity
GO:0020037
heme binding
GO:0046872
metal ion binding
View graph for
Molecular Function
External links
PDB
RCSB:1gyo
,
PDBe:1gyo
,
PDBj:1gyo
PDBsum
1gyo
PubMed
12657783
UniProt
Q9R638
[
Back to BioLiP
]