Structure of PDB 4zh5 Chain A Binding Site BS03

Receptor Information

>4zh5 Chain A (length=425) Species: 6356 (Perinereis brevicirris)

QYNYREVLQKSILFYAAQRSGQLPGNNPIDWRDDSALDDQGNGGEDLTGG
WYDAGDHVKFGLPMAWTATTLIWGMIDLANGYGGDRNDAMQSVRWALDYF
MKCHVSDNELYGQVGDGHADHAYWGRPEEMTMDRPAWSLTPSAPGSDLAG
ETAAALAAGSILFSDSDASYANQLLDHARTIYDFAYNNRGIYSESIPNAA
DFYRSSAYEDELCWGALWLYRATGEQDYMDKANEFLPQGRPWAFSWDSKE
AGSLVLLTSFGNSNARAQLEDFLQSWFPGGDIHYTPLGLAWRDTWGSLRY
SANSAFIALLAAEEGVLTSQARTFARAQLDYMLGSTGRSFVVGFGTNPPL
RPHHRAASCPDMPASCGWDQASDPAPNPQVLDGALVGGPDDQDNYNDDRQ
DYISNEVACDYNAGFQGALAGILQL

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: 4zh5 Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4zh5 Biophysical and structural characterisation of the endoglucanase from Perinereis brevicirris
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): H129 H361 R363 Y410 E414
• Binding residue (residue number reindexed from 1): H121 H353 R355 Y402 E406
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D61 D64 Y211 E414
• Catalytic site (residue number reindexed from 1): D53 D56 Y203 E406
• Enzyme Commision number: 3.2.1.4: cellulase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:4zh5, PDBe:4zh5, PDBj:4zh5
• PDBsum: 4zh5
• UniProt: F2Z7L1