Structure of PDB 2zs7 Chain A Binding Site BS01

Receptor Information

>2zs7 Chain A (length=307) Species: 1773 (Mycobacterium tuberculosis)

EPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLP
LARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKST
TARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNR
RALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNV
LQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFH
HYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSIN
RLRLRKL

Ligand information

• Ligand ID: FLC
• InChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
• InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
  OpenEye OEToolkits 1.5.0: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
  ACDLabs 10.04: O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
• Formula: C6 H5 O7
• Name: CITRATE ANION
• PDB chain: 2zs7 Chain A Residue 600

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2zs7 Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): V99 A100 V101 G102 K103 S104 T105 R238
• Binding residue (residue number reindexed from 1): V94 A95 V96 G97 K98 S99 T100 R233
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.33: pantothenate kinase.

Gene Ontology

Molecular Function

• GO:0004594 pantothenate kinase activity
• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016301 kinase activity

Biological Process

• GO:0015937 coenzyme A biosynthetic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005886 plasma membrane

External links

• PDB: RCSB:2zs7, PDBe:2zs7, PDBj:2zs7
• PDBsum: 2zs7
• PubMed: 19307712
• UniProt: P9WPA7|COAA_MYCTU Pantothenate kinase (Gene Name=coaA)