Structure of PDB 3a0g Chain B Binding Site BS01
Receptor Information
>3a0g Chain B (length=144) Species:
10141
(Cavia porcellus) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
VHLTAAEKSAILDLWGKVNVGEIGAEALGRLLVVYPWTQRFFEKFGDLSS
ASAIMSNAHVKSHGAKVLASFSEGLKHLQDLKGTFAKLSELHCDKLHVDP
ENFRLLGNMLTIAIAHHHPSEFTPCTQAAFQKVTAGVANALAHK
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
3a0g Chain B Residue 401 [
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
3a0g
Crystal structure analysis of guinea pig oxyhemoglobin at 2.5 angstroms resolution
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
F41 F42 H63 H92 L96 V98 N102 L141
Binding residue
(residue number reindexed from 1)
F41 F42 H63 H92 L96 V98 N102 L141
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0004601
peroxidase activity
GO:0005344
oxygen carrier activity
GO:0019825
oxygen binding
GO:0020037
heme binding
GO:0031720
haptoglobin binding
GO:0031721
hemoglobin alpha binding
GO:0043177
organic acid binding
GO:0046872
metal ion binding
Biological Process
GO:0015671
oxygen transport
GO:0042744
hydrogen peroxide catabolic process
GO:0098869
cellular oxidant detoxification
Cellular Component
GO:0005833
hemoglobin complex
GO:0031838
haptoglobin-hemoglobin complex
GO:0072562
blood microparticle
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:3a0g
,
PDBe:3a0g
,
PDBj:3a0g
PDBsum
3a0g
PubMed
UniProt
P02095
|HBB_CAVPO Hemoglobin subunit beta (Gene Name=HBB)
[
Back to BioLiP
]