Structure of PDB 7ov2 Chain A Binding Site BS01

Receptor Information
>7ov2 Chain A (length=302) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPILRFVAVGDWGGVPNAPFHTAREMANAKAIATTVKTLGADFILSLGDN
FYFTGVHDAKDKRFQETFEDVFSDPSLRNVPWHVLAGNHDHLGNVSAQIA
YSKISKRWNFPSPYYRLRFKIPRSNVSVAIFMLDTVTLCGNSDDFVSQQP
ERPRNLALARTQLAWIKKQLAAAKEDYVLVAGHYPVWSIAEHGPTHCLVK
QLLPLLTTHKVTAYLCGHDHNLQYLQDENGLGFVLSGAGNFMDPSKKHLR
KVPNGYLRFHFGAENSLGGFAYVEITPKEMSVTYIEASGKSLFKTKLPRR
AR
Ligand information
Ligand IDGLN
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04O=C(N)CCC(N)C(=O)O
CACTVS 3.341N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)C(O)=O
FormulaC5 H10 N2 O3
NameGLUTAMINE
ChEMBLCHEMBL930
DrugBankDB00130
ZINCZINC000001532526
PDB chain7ov2 Chain A Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ov2 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R8 A44 D45
Binding residue
(residue number reindexed from 1)		R5 A41 D42
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:0006826 iron ion transport
GO:0045453 bone resorption
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ov2, PDBe:7ov2, PDBj:7ov2
PDBsum7ov2
PubMed34331400
UniProtP09889|PPA5_PIG Tartrate-resistant acid phosphatase type 5 (Gene Name=ACP5)

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