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BioLiP

Structure of PDB 3g4y Chain A Binding Site BS03

Receptor Information
>3g4y Chain A (length=145) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVYDAAAQLTADVKKDLRDSWKVIGSDKKGNGVALMTTLFADNQETIGYF
KRLGDVSQGMANDKLRGHSITLMYALQNFIDQLDNPDDLVCVVEKFAVNH
ITRKISAAEFGKINGPIKKVLASKNFGDKYANAWAKLVAVVQAAL
Ligand information
Ligand ID9CL
InChIInChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyKCXMKQUNVWSEMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370		ClCc1ccccc1
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCl
FormulaC7 H7 Cl
Name(chloromethyl)benzene
ChEMBLCHEMBL498878
DrugBank
ZINCZINC000001586371
PDB chain3g4y Chain A Residue 151 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3g4y Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		I25 M74 V121 W135
Binding residue
(residue number reindexed from 1)		I24 M73 V120 W134
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0001666 response to hypoxia
GO:0015671 oxygen transport
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:3g4y, PDBe:3g4y, PDBj:3g4y
PDBsum3g4y
PubMed19913484
UniProtP02213|GLB1_ANAIN Globin-1

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