Structure of PDB 2dti Chain A Binding Site BS02

Receptor Information

>2dti Chain A (length=235) Species: 70601 (Pyrococcus horikoshii OT3)

MLGLKTSIIGRRVIYFQEITSTNEFAKTSYLEEGTVIVADKQTMGHGRLN
RKWESPEGGLWLSIVLSPKVPQKDLPKIVFLGAVGVVETLKEFSIDGRIK
WPNDVLVNYKKIAGVLVEGKGDKIVLGIGLNVNNKVPNGATSMKLELGSE
VPLLSVFRSLITNLDRLYLNFLKNPMDILNLVRDNMILGVRVKILGDGSF
EGIAEDIDDFGRLIIRLDSGEVKKVIYGDVSLRFL

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 2dti Chain A Residue 1401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2dti Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): R48 R51 K100 D104 K111 S231 L232
• Binding residue (residue number reindexed from 1): R48 R51 K100 D104 K111 S231 L232
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): R48 K111 R233
• Catalytic site (residue number reindexed from 1): R48 K111 R233
• Enzyme Commision number: 6.3.4.15: biotin--[biotin carboxyl-carrier protein] ligase.

Gene Ontology

Molecular Function

• GO:0004077 biotin--[biotin carboxyl-carrier protein] ligase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0036211 protein modification process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2dti, PDBe:2dti, PDBj:2dti
• PDBsum: 2dti
• UniProt: O57883