Structure of PDB 7km3 Chain D Binding Site BS03

Receptor Information
>7km3 Chain D (length=188) Species: 272561 (Chlamydia trachomatis D/UW-3/CX) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRYVVGISGASGIVLAVTLVSELARLGHHIDVIISPSAQKTLYYELDTK
SFLSTIPQNFHNQIVLHHISSIESSVSSGSNTIDATIIVPCSVATVAAIS
CGLADNLLRRVADVALKEKRPLILVPREAPLSAIHLENLLKLAQNGAVIL
PPMPIWYFKPQTAEDIANDIVGKILAILQLDSPLIKRW
Ligand information
Ligand ID4LR
InChIInChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)
InChIKeyMQCJHQBRIPSIKA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=CCOP(=O)(O)O)C
CACTVS 3.385CC(C)=CCO[P](O)(O)=O
ACDLabs 12.01OP(OC\C=C(\C)C)(O)=O
FormulaC5 H11 O4 P
NameDimethylallyl monophosphate
ChEMBLCHEMBL144874
DrugBank
ZINCZINC000002526571
PDB chain7km3 Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7km3 Functional and structural validation of CT220 as the UbiX-like flavin prenyltransferase from Chlamydial menaquinone biosynthesis
Resolution2.26 Å
Binding residue
(original residue number in PDB)		S77 K117
Binding residue
(residue number reindexed from 1)		S77 K117
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.129: flavin prenyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004659 prenyltransferase activity
GO:0016831 carboxy-lyase activity
GO:0106141 flavin prenyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7km3, PDBe:7km3, PDBj:7km3
PDBsum7km3
PubMed
UniProtO84222|UBIX_CHLTR Flavin prenyltransferase UbiX (Gene Name=ubiX)

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