PDB Entry (2gt4)
PDB ID: 2gt4 Resolution: 2.3 Å Exp. Method: X-RAY DIFFRACTION
PMID: 16981689 DOI: 10.1021/bi061239g
Protein
Protein Name: GDP-mannose mannosyl hydrolase
Uniprot ID/ACC: P32056 (GMM_ECOLI) Organism: Escherichia coli (strain K12)
Gene Symbol: gmm Gene ID: 946559
Protein Class: HYDROLASE
Ligand
Ligand Name:   beta-D-mannose
Canonical SMILES:   OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O1)O
Standard 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
HET Code:   BMA PubChem:   439680
DrugBank:   - ChEMBL:   CHEMBL1231395
Molecular Formula:   C6H12O6 Mol. Weight:   180.06339 logP:   -3.2214
HBD:   5 HBA:   6
#Rotatable Bonds:   1 TPSA:   110.38
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Nucleophilic Aliphatic Subsititution ASN 39 B 92.41 - Hemiacetal
Binding Affinity
-