Structure of PDB 1oj6 Chain B Binding Site BS01
Receptor Information
>1oj6 Chain B (length=151) Species:
9606
(Homo sapiens) [
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MERPEPELIRQSWRAVSRSPLEHGTVLFARLFALEPDLLPLFQYNGRQFS
SPEDSLSSPEFLDHIRKVMLVIDAAVTNVEDLSSLEEYLASLGRKHRAVG
VKLSSFSTVGESLLYMLEKSLGPAFTPATRAAWSQLYGAVVQAMSRGWDG
E
Ligand information
Ligand ID
HEM
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,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
1oj6 Chain B Residue 1152 [
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Receptor-Ligand Complex Structure
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PDB
1oj6
Human Brain Neuroglobin Structure Reveals a Distinct Mode of Controlling Oxygen Affinity
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
F42 Y44 H64 K67 V68 V71 L92 H96 V109
Binding residue
(residue number reindexed from 1)
F42 Y44 H64 K67 V68 V71 L92 H96 V109
Annotation score
4
Enzymatic activity
Enzyme Commision number
1.7.-.-
Gene Ontology
Molecular Function
GO:0005092
GDP-dissociation inhibitor activity
GO:0005344
oxygen carrier activity
GO:0005515
protein binding
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:0001666
response to hypoxia
GO:0015671
oxygen transport
GO:0071456
cellular response to hypoxia
Cellular Component
GO:0005737
cytoplasm
GO:0005739
mitochondrion
GO:0005759
mitochondrial matrix
GO:0005829
cytosol
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1oj6
,
PDBe:1oj6
,
PDBj:1oj6
PDBsum
1oj6
PubMed
12962627
UniProt
Q9NPG2
|NGB_HUMAN Neuroglobin (Gene Name=NGB)
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