Structure of PDB 2ihz Chain A Binding Site BS02

Receptor Information

>2ihz Chain A (length=379) Species: 747 (Pasteurella multocida)

MKTITLYLDPASLPALNQLMDFTQNNEDKTHPRIFGLSRFKIPDNIITQY
QNIHFVELKDNRPTEALFTILDQYPGNIELNIHLNIAHSVQLIRPILAYR
FKHLDRVSIQQLNLYDDGSMEYVDLEKEENKDISAEIKQAEKQLSHYLLT
GKIKFDNPTIARYVWQSAFPVKYHFLSTDYFEKAEFLQPLKEYLAENYQK
MDWTAYQQLTPEQQAFYLTLVGFNDEVKQSLEVQQAKFIFTGTTTWEGNT
DVREYYAQQQLNLLNHFTQAEGDLFIGDHYKIYFKGHPRGGEINDYILNN
AKNITNIPANISFEVLMMTGLLPDKVGGVASSLYFSLPKEKISHIIFTSA
LNNPYVKVMRRLGIIDESQVIFWDSLKQL

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 2ihz Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ihz Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): P34 A35 R63 H112 D141 M144 W270
• Binding residue (residue number reindexed from 1): P10 A11 R39 H88 D117 M120 W246
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.4.99.4: Transferred entry: 2.4.3.4.

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity

External links

• PDB: RCSB:2ihz, PDBe:2ihz, PDBj:2ihz
• PDBsum: 2ihz
• PubMed: 17487984
• UniProt: Q15KI8