Structure of PDB 4h83 Chain A Binding Site BS01

Receptor Information

>4h83 Chain A (length=356) Species: 312284 (marine actinobacterium PHSC20C1)

LTITRIETIPMVAPLMTHRATIVTRVHTDAGIIGEAYTGDEHETMFDIDR
IIHEELAPTLIGQDAMAIERLWDSGYKVTFDILRDRRLGLVALAAVNTAI
WDAVGKALKMPLWKLWGGYRNELPMIAIGGYYGEPLGSIADEMHNYQELG
LAGVKFKVGGLSAAEDAARITAAREAAGDDFIICIDANQGYKPAVAVDLS
RRIADLNIRWFEEPVEWHNDKRSMRDVRYQGSVPVCAGQTEFSASGCRDL
METGAIDVCNFDSSWSGGPTAWLRTAAIATSYDVQMGHHEEPQVSTHLLA
SQPHGTIAECFHPDRDPFWWNMITNRPKLNNGTLTLSDRPGLGWDLNWDY
IDQYRV

Ligand information

• Ligand ID: BCT
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)(O)[O-]
  CACTVS 3.341: OC([O-])=O
  ACDLabs 10.04: [O-]C(=O)O
• Formula: C H O3
• Name: BICARBONATE ION
• PDB chain: 4h83 Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4h83 Crystal structure of Mandelate racemase/muconate lactonizing enzyme
• Resolution: 2.094 Å
• Binding residue (original residue number in PDB): R238 T335 I336
• Binding residue (residue number reindexed from 1): R209 T306 I307
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D69 I157 K184 K186 I214 D215 A216 N217 E241 G267 Q268 N289 D291 H318 E319 E320 E338 D343
• Catalytic site (residue number reindexed from 1): D40 I128 K155 K157 I185 D186 A187 N188 E212 G238 Q239 N260 D262 H289 E290 E291 E309 D314

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016836 hydro-lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:4h83, PDBe:4h83, PDBj:4h83
• PDBsum: 4h83
• UniProt: A4AFX2