Structure of PDB 1z83 Chain A Binding Site BS01

Receptor Information
>1z83 Chain A (length=195) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEEKLKKTNIIFVVGGPGSGKGTQCEKIVQKYGYTHLSTGDLLRSEVSS
GSARGKKLSEIMEKGQLVPLETVLDMLRDAMVAKVNTSKGFLIDGYPREV
QQGEEFERRIGQPTLLLYVDAGPETMTQRLLKRGETSGRVDDNEETIKKR
LETYYKATEPVIAFYEKRGIVRKVNAEGSVDSVFSQVCTHLDALL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1z83 Chain A Residue 641 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z83 Crystal structure of human AK1A in complex with AP5A
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E26 H36
Binding residue
(residue number reindexed from 1)		E27 H37
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K21 R97 R132 R138 R149
Catalytic site (residue number reindexed from 1) K22 R98 R133 R139 R150
Enzyme Commision number 2.7.4.10: nucleoside-triphosphate--adenylate kinase.
2.7.4.3: adenylate kinase.
2.7.4.6: nucleoside-diphosphate kinase.
Gene Ontology
Molecular Function
GO:0004017 adenylate kinase activity
GO:0004550 nucleoside diphosphate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0019205 nucleobase-containing compound kinase activity
GO:0047506 (deoxy)adenylate kinase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006172 ADP biosynthetic process
GO:0009142 nucleoside triphosphate biosynthetic process
GO:0015949 nucleobase-containing small molecule interconversion
GO:0016310 phosphorylation
GO:0046033 AMP metabolic process
GO:0046034 ATP metabolic process
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0001520 outer dense fiber
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0036126 sperm flagellum
GO:0070062 extracellular exosome

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Biological Process
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Cellular Component
External links
PDB RCSB:1z83, PDBe:1z83, PDBj:1z83
PDBsum1z83
PubMed
UniProtP00568|KAD1_HUMAN Adenylate kinase isoenzyme 1 (Gene Name=AK1)

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