Structure of PDB 4mpo Chain D Binding Site BS02

Receptor Information
>4mpo Chain D (length=145) Species: 471472 (Chlamydia trachomatis L2/434/Bu) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKHEYSFGVIPIRFFGTPDRSTLKACFICHTDGKHWGFPKGHAEEKEGPQ
EAAERELVEETGLGIVNFFPKIFVENYSFNDKEEIFVRKEVTYFLAEVKG
EVHADPDEICDVQWLSFQEGLRLLNFPEIRNIVTEADKFVQSYLF
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4mpo Chain D Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mpo Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G44 H45 E59 E111
Binding residue
(residue number reindexed from 1)		G41 H42 E56 E108
Annotation score1
Enzymatic activity
Enzyme Commision number 3.-.-.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004081 bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006167 AMP biosynthetic process
GO:0006754 ATP biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4mpo, PDBe:4mpo, PDBj:4mpo
PDBsum4mpo
PubMed24354275
UniProtA0A0H3MCJ9

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