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BioLiP

Structure of PDB 3g4y Chain B Binding Site BS04

Receptor Information
>3g4y Chain B (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 B Residue 150 [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 L77 V121 L122 W135
Binding residue
(residue number reindexed from 1)		I24 M73 L76 V120 L121 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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Cellular Component
External links
PDB RCSB:3g4y, PDBe:3g4y, PDBj:3g4y
PDBsum3g4y
PubMed19913484
UniProtP02213|GLB1_ANAIN Globin-1

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