Structure of PDB 2d2n Chain A Binding Site BS01

Receptor Information
>2d2n Chain A (length=140) Species: 55676 (Oligobrachia mashikoi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VCNRLEQILVKTQWAQSYGEAENRAAFSRDLFSELFNIQGSSRALFSGVG
VDDMNSAAFTAHCLRVTGALNRLISQLDQQATINADLAHLAGQHASRNLD
ASNFAAMGQAVMSVVPTHLDCFNQHAWGECYERIASGISG
Ligand information
Ligand IDHEM
InChIInChI=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-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(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 3.385CC1=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 12.01C=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
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain2d2n Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2d2n Structure of an extracellular giant hemoglobin of the gutless beard worm Oligobrachia mashikoi.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		L45 F46 H62 V66 H94 R97 L99 N103 F104 M107 I138
Binding residue
(residue number reindexed from 1)		L45 F46 H62 V66 H94 R97 L99 N103 F104 M107 I138
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0005506 iron ion binding
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0001666 response to hypoxia
GO:0015671 oxygen transport
Cellular Component
GO:0005576 extracellular region
GO:0005833 hemoglobin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2d2n, PDBe:2d2n, PDBj:2d2n
PDBsum2d2n
PubMed16204001
UniProtQ7M419|GLBA1_OLIMA Extracellular giant hemoglobin major globin subunit A1 (Gene Name=ghbA1)

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