Structure of PDB 6o04 Chain B Binding Site BS01

Receptor Information
>6o04 Chain B (length=532) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNPSTTQARVVVDELIRGGVRDVVLCPGSRNAPLAFALQDADRSGRIRLH
VRIDERTAGYLAIGLAIGAGAPVCVAMTSGTAVANLGPAVVEANYARVPL
IVLSANRPYELLGTGANQTMEQLGYFGTQVRASISLGLAEDAPERTSALN
ATWRSATCRVLAAATGARTANAGPVHFDIPLREPLVPDPEPTPPGRPAGK
PWTYTPPVTFDQPLDIDLSVDTVVISGHGAGVHPNLAALPTVAEPTAPRS
GDNPLHPLALPLLRPQQVIMLGRPTLHRPVSVLLADAEVPVFALTTGPRW
PDVSGNSQATGTRAVTTGAPRPAWLDRCAAMNRHAIAAVREQLAAHPLTT
GLHVAAAVSHALRPGDQLVLGASNPVRDVALAGLDTRGIRVRSNRGVAGI
DGTVSTAIGAALAYEGAHERTGSPDSPPRTIALIGDLTFVHDSSGLLIGP
TEPIPRSLTIVVSNDNGVSSRIFGTPHDVDVGALCRAYHVESRQIEVDEL
GPTLDQPGMRVLEVKADRSSLRQLHAAIKAAL
Ligand information
Ligand IDDNA
InChIInChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKeyVOJUXHHACRXLTD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(cc(c2O)C(=O)O)O
CACTVS 3.352OC(=O)c1cc(O)c2ccccc2c1O
ACDLabs 11.02O=C(O)c2cc(O)c1ccccc1c2O
FormulaC11 H8 O4
Name1,4-dihydroxy-2-naphthoic acid;
1,4-dihydroxynaphthalene-2-carboxylic acid
ChEMBLCHEMBL1232286
DrugBank
ZINCZINC000000409255
PDB chain6o04 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6o04 Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y95 R97 R277 R303 W304 P305
Binding residue
(residue number reindexed from 1)		Y95 R97 R273 R299 W300 P301
Annotation score1
Enzymatic activity
Enzyme Commision number 2.2.1.9: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic-acid synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016740 transferase activity
GO:0030145 manganese ion binding
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0070204 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic-acid synthase activity
Biological Process
GO:0009234 menaquinone biosynthetic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6o04, PDBe:6o04, PDBj:6o04
PDBsum6o04
PubMed32029475
UniProtP9WK11|MEND_MYCTU 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase (Gene Name=menD)

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