Structure of PDB 3kzh Chain A Binding Site BS01

Receptor Information

>3kzh Chain A (length=316) Species: 1502 (Clostridium perfringens)

RKEPYLLVFGASVVDVFGFSKASYRPYNSTPGHVKISFGGVCRNIAENMA
RVGVNTNFMSILGNDEHGKSIVEHSKKIGYHMDDSMVIEGGSTPTYLAIL
DENGEMVSAIADMKSIGAMNTDFIDSKREIFENAEYTVLDSDNPEIMEYL
LKNFKDKTNFILDPVSAEKASWVKHLIKDFHTIKPNRHEAEILAGFPITD
TDDLIKASNYFLGLGIKKVFISLDADGIFYNDGVSCGKIKATEVDVKNVT
GAGDSFVAGLGYGYMNKMPIEDIVKFAMTMSNITISHEETIHPDMALDTV
LAKLEKTTWEEEKYDL

Ligand information

• Ligand ID: BGC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 3kzh Chain A Residue 329

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kzh Crystal structure of a putative sugar kinase from Clostridium perfringens
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): D166 V168 K187 E192
• Binding residue (residue number reindexed from 1): D163 V165 K184 E189
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): G254 A255 G256 D257
• Catalytic site (residue number reindexed from 1): G251 A252 G253 D254

Gene Ontology

Molecular Function

• GO:0016301 kinase activity

Biological Process

• GO:0016310 phosphorylation

External links

• PDB: RCSB:3kzh, PDBe:3kzh, PDBj:3kzh
• PDBsum: 3kzh
• UniProt: Q8XKB8