Structure of PDB 2bq8 Chain X Binding Site BS01

Receptor Information
>2bq8 Chain X (length=304) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGD
NFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQI
AYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQ
PERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLV
KQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQ
RKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPR
RARP
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain2bq8 Chain X Residue 1305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bq8 Crystal Structures of Recombinant Human Purple Acid Phosphatase with and without an Inhibitory Conformation of the Repression Loop.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D12 D50 Y53 D145 H221
Binding residue
(residue number reindexed from 1)		D12 D50 Y53 D145 H221
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0008198 ferrous iron binding
GO:0008199 ferric iron binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006809 nitric oxide biosynthetic process
GO:0010936 negative regulation of macrophage cytokine production
GO:0032496 response to lipopolysaccharide
GO:0032691 negative regulation of interleukin-1 beta production
GO:0032695 negative regulation of interleukin-12 production
GO:0032720 negative regulation of tumor necrosis factor production
GO:0032929 negative regulation of superoxide anion generation
GO:0034097 response to cytokine
GO:0042554 superoxide anion generation
GO:0045019 negative regulation of nitric oxide biosynthetic process
GO:0045453 bone resorption
GO:0050728 negative regulation of inflammatory response
GO:0050830 defense response to Gram-positive bacterium
GO:0060349 bone morphogenesis
Cellular Component
GO:0005764 lysosome
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2bq8, PDBe:2bq8, PDBj:2bq8
PDBsum2bq8
PubMed15993892
UniProtP13686|PPA5_HUMAN Tartrate-resistant acid phosphatase type 5 (Gene Name=ACP5)

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