Structure of PDB 3cwq Chain A Binding Site BS01

Receptor Information
>3cwq Chain A (length=206) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIITVASFKGGVGKTTTAVHLSAYLALQGETLLIDGDPNRSATGWGKRGS
LPFKVVDERQAAKYAPKYQNIVIDTQARPEDEDLEALADGCDLLVIPSTP
DALALDALMLTIETLQKLGNNRFRILLTIIPPYPSKDGDEARQLLTTAGL
PLFKRGIKRYSAFQKASLNGVVVSEVSDSKAGIAWSDYKATGKEIVEEIL
TLEHHH
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3cwq Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cwq Crystal structure of chromosome partitioning protein (ParA) in complex with ADP from Synechocystis sp.
Resolution2.47 Å
Binding residue
(original residue number in PDB)		G11 V12 G13 K14 T15 T16 I129 K158 R159 Y160 F163 Q164
Binding residue
(residue number reindexed from 1)		G11 V12 G13 K14 T15 T16 I129 K158 R159 Y160 F163 Q164
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0051782 negative regulation of cell division
Cellular Component
GO:0005829 cytosol
GO:0009898 cytoplasmic side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3cwq, PDBe:3cwq, PDBj:3cwq
PDBsum3cwq
PubMed
UniProtQ6YRW8

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