Structure of PDB 4wzz Chain A Binding Site BS01

Receptor Information

>4wzz Chain A (length=321) Species: 357809 (Lachnoclostridium phytofermentans ISDg)

YATTATYAIIVKSAGNPYNQKESEGYKQVIEANGGKCVIQEPKSATAEDQ
ITCINNAISQGVDCIAIAANDTDALEPALTEAKNQGIHVLSLDSATNANS
RKVFVNQAGTTQIAQALMDAILDISGGSGDWAVLSAASTATNQNAWIDGM
KTVMQDSKYSKLNLIGVYYGDDEYQASCDQTEAILAADPNIKVICAPTTV
GIMAAAKVLQDKGLSGKVKLTGLGLPSEMADYIGDDDQHSCPYMFLWNPI
QLGNLAAYASISLVNGTITGAADQSFTVPDKTLGDNGSYKITAAADGGTE
IILGAPFKFEPSNIAEWAKVY

Ligand information

• Ligand ID: RAM
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-HGVZOGFYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-rhamnopyranose;
  alpha-L-rhamnose;
  6-deoxy-alpha-L-mannopyranose;
  L-rhamnose;
  rhamnose
• ZINC: ZINC000003861280
• PDB chain: 4wzz Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wzz CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTAS (Cphy_0583, TARGET EFI-511148) WITH BOUND L-RHAMNOSE
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): K58 N62 Y64 D139 N188 D218 T244 T245 W293
• Binding residue (residue number reindexed from 1): K12 N16 Y18 D93 N142 D172 T198 T199 W247
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:4wzz, PDBe:4wzz, PDBj:4wzz
• PDBsum: 4wzz
• UniProt: A9KIX1