Structure of PDB 7rtg Chain B Binding Site BS01

Receptor Information
>7rtg Chain B (length=352) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDK
PLTLPDFLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSP
HLLANSKVEPIPWNQAEGDLTPDEVVALVGQGLQEGERDFGVKARSILCC
MRHQPNWSPKVVELCKKYQQQTVVAIDLAGDETIPGSSLLPGHVQAYQEA
VKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGYHTLEDQALYNRLRQ
ENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIFKSTL
DTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMP
PS
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 chain7rtg Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7rtg Catalytically active holo Homo sapiens adenosine deaminase I adopts a closed conformation.
Resolution2.591 Å
Binding residue
(original residue number in PDB)		H15 H17 H214 D295
Binding residue
(residue number reindexed from 1)		H11 H13 H210 D291
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.4: adenosine deaminase.
Gene Ontology
Molecular Function
GO:0004000 adenosine deaminase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0019239 deaminase activity
GO:0046872 metal ion binding
GO:0046936 2'-deoxyadenosine deaminase activity
Biological Process
GO:0000255 allantoin metabolic process
GO:0001666 response to hypoxia
GO:0001701 in utero embryonic development
GO:0001829 trophectodermal cell differentiation
GO:0001889 liver development
GO:0001890 placenta development
GO:0002314 germinal center B cell differentiation
GO:0002467 germinal center formation
GO:0002636 positive regulation of germinal center formation
GO:0002686 negative regulation of leukocyte migration
GO:0002901 mature B cell apoptotic process
GO:0002906 negative regulation of mature B cell apoptotic process
GO:0006154 adenosine catabolic process
GO:0006157 deoxyadenosine catabolic process
GO:0006196 AMP catabolic process
GO:0006805 xenobiotic metabolic process
GO:0006915 apoptotic process
GO:0006939 smooth muscle contraction
GO:0007155 cell adhesion
GO:0009117 nucleotide metabolic process
GO:0009168 purine ribonucleoside monophosphate biosynthetic process
GO:0010460 positive regulation of heart rate
GO:0014074 response to purine-containing compound
GO:0019722 calcium-mediated signaling
GO:0030217 T cell differentiation
GO:0030324 lung development
GO:0030890 positive regulation of B cell proliferation
GO:0032261 purine nucleotide salvage
GO:0032263 GMP salvage
GO:0033077 T cell differentiation in thymus
GO:0033089 positive regulation of T cell differentiation in thymus
GO:0033632 regulation of cell-cell adhesion mediated by integrin
GO:0042100 B cell proliferation
GO:0042110 T cell activation
GO:0043066 negative regulation of apoptotic process
GO:0043084 penile erection
GO:0043101 purine-containing compound salvage
GO:0043103 hypoxanthine salvage
GO:0043605 amide catabolic process
GO:0044209 AMP salvage
GO:0045580 regulation of T cell differentiation
GO:0045582 positive regulation of T cell differentiation
GO:0045987 positive regulation of smooth muscle contraction
GO:0046059 dAMP catabolic process
GO:0046061 dATP catabolic process
GO:0046085 adenosine metabolic process
GO:0046101 hypoxanthine biosynthetic process
GO:0046103 inosine biosynthetic process
GO:0046111 xanthine biosynthetic process
GO:0046632 alpha-beta T cell differentiation
GO:0046638 positive regulation of alpha-beta T cell differentiation
GO:0048286 lung alveolus development
GO:0048541 Peyer's patch development
GO:0048566 embryonic digestive tract development
GO:0050728 negative regulation of inflammatory response
GO:0050850 positive regulation of calcium-mediated signaling
GO:0050852 T cell receptor signaling pathway
GO:0050862 positive regulation of T cell receptor signaling pathway
GO:0050870 positive regulation of T cell activation
GO:0050900 leukocyte migration
GO:0060169 negative regulation of adenosine receptor signaling pathway
GO:0060407 negative regulation of penile erection
GO:0070242 thymocyte apoptotic process
GO:0070244 negative regulation of thymocyte apoptotic process
GO:0070254 mucus secretion
GO:0070256 negative regulation of mucus secretion
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0031410 cytoplasmic vesicle
GO:0060205 cytoplasmic vesicle lumen
GO:0070161 anchoring junction

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7rtg, PDBe:7rtg, PDBj:7rtg
PDBsum7rtg
PubMed34981765
UniProtP00813|ADA_HUMAN Adenosine deaminase (Gene Name=ADA)

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