Structure of PDB 1bvd Chain A Binding Site BS01
Receptor Information
>1bvd Chain A (length=153) Species:
9755
(Physeter catodon) [
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VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLK
TEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIP
IKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELG
YQG
Ligand information
Ligand ID
BLA
InChI
InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
InChIKey
GWZYPXHJIZCRAJ-SRVCBVSDSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0
Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
CACTVS 3.341
Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C
CACTVS 3.341
Cc1c([nH]c(\C=C2/N=C(\C=C3/NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)\C=C4/NC(=O)C(=C4C)C=C
Formula
C33 H34 N4 O6
Name
BILIVERDINE IX ALPHA
ChEMBL
DrugBank
ZINC
ZINC000103534374
PDB chain
1bvd Chain A Residue 154 [
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Receptor-Ligand Complex Structure
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PDB
1bvd
Structure determination of the biliverdin apomyoglobin complex: crystal structure analysis of two crystal forms at 1.4 and 1.5 A resolution.
Resolution
1.4 Å
Binding residue
(original residue number in PDB)
K42 F43 R45 H64 T67 V68 L89 S92 H93 H97 I99 Y103 I107 F138
Binding residue
(residue number reindexed from 1)
K42 F43 R45 H64 T67 V68 L89 S92 H93 H97 I99 Y103 I107 F138
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.11.1.-
1.7.-.-
Gene Ontology
Molecular Function
GO:0004601
peroxidase activity
GO:0005344
oxygen carrier activity
GO:0016491
oxidoreductase activity
GO:0019825
oxygen binding
GO:0020037
heme binding
GO:0046872
metal ion binding
GO:0098809
nitrite reductase activity
Biological Process
GO:0015671
oxygen transport
GO:0019430
removal of superoxide radicals
Cellular Component
GO:0005737
cytoplasm
GO:0016528
sarcoplasm
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1bvd
,
PDBe:1bvd
,
PDBj:1bvd
PDBsum
1bvd
PubMed
7707378
UniProt
P02185
|MYG_PHYMC Myoglobin (Gene Name=MB)
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