Structure of PDB 8ivp Chain B Binding Site BS01

Receptor Information

>8ivp Chain B (length=322) Species: 350058 (Mycolicibacterium vanbaalenii PYR-1)

GAIREDTPAGSVIQYSDYEIDYSSPFAGGVAWIEGEYLPAEDAKISIFDT
GFGKSDLTYTVAHVWHGNIFRLGDHLDRLLDGARKLRLDPGYTKDELADI
TKKCVMLSQLRESFVNLTITRGYGKRPGERDLSKLTNQVYIYAIPYIWAF
PPEEQIFGTTAVVPRHVRRAGRNTVDPTIKNYQWGDLTAASFEAKDRGAG
TAILMDADNCVAEGPGFNVCIVKDGKLASPSRNALPGITRKTVFEIAGAM
GIEAALRDVTSHELYDADEIMAVTTAGGVTPINTLDGVPIGDGEPGPVTV
AIRDRFWALMDEPGPLIEAIQY

Ligand information

• Ligand ID: FUD
• InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
• InChIKey: BJHIKXHVCXFQLS-UYFOZJQFSA-N
• SMILES:
  CACTVS 3.341: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
  ACDLabs 10.04: O=C(C(O)C(O)C(O)CO)CO
  OpenEye OEToolkits 1.5.0: C(C(C(C(C(=O)CO)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
  CACTVS 3.341: OC[CH](O)[CH](O)[CH](O)C(=O)CO
• Formula: C6 H12 O6
• Name: D-fructose
• ChEMBL: CHEMBL1232863
• ZINC: ZINC000001532049
• PDB chain: 8ivp Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ivp Crystal structure of MV in complex with LLP and FRU from Mycobacterium vanbaalenii
• Resolution: 1.93 Å
• Binding residue (original residue number in PDB): Y74 V76 F129 A164 X195 G231
• Binding residue (residue number reindexed from 1): Y59 V61 F114 A149 X180 G216
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008483 transaminase activity

Biological Process

• GO:0019752 carboxylic acid metabolic process
• GO:0046394 carboxylic acid biosynthetic process

External links

• PDB: RCSB:8ivp, PDBe:8ivp, PDBj:8ivp
• PDBsum: 8ivp
• UniProt: A1TDP1