Structure of PDB 7vew Chain A Binding Site BS01

Receptor Information

>7vew Chain A (length=609) Species: 90322 (Sphingomonas sp. A1)

AFTQAPMLEQNKQLPPVDQRLPEKPLVIKPIASNGVYGGTLRTVMRGNAD
GNGILRTIGPQGLTHWTQDIQTVEPYVAESYTVSPDAMEYTFKLRKGMKW
SDGTPFTADDIVFAMNDVVLNKEMFPQTPSAYLVGGKAPKVSKVDDYTVK
FEFPAANLSFPETLATPLGQHPTLYQKKYCSQFHPAYNKNVQAEFTKANV
KDWPSLMRAKCSDIELPSRWSSTERPSIDPWLIKEPYGGAVTRVVMERNP
FYWQVDPTGKQLPYVDRIQYAVVSDLQAIILAATNGQYDIEARLLGSDVT
SRPLMLKNQQKGGYKVFGQTSANANAAGLWLNQTTKNEKLRKYMTQHDFR
QALSLAMDRDEINKVAWLGQAAPWQSGPFKESKWYNEKLATQYLKLDLAQ
ANQILDRLGLTKRDSDGYRTYPDGGRVSLDAIVMIDRQAMVQTLELIRRQ
WQKAGVELVIKGSERSLFYNRATANDYDISIDVFPGGLDATLNPRAYVAV
HPLESRMSLEWAKWYLSGGKQGIEPNESMKKRMALYDQFVAAKTQSQALS
LFKQILQISADEFEVIGTVRPAVISSLHSLKLQNVNEKMPFGWPYATPSL
SLPQQWYFS

Ligand information

• Ligand ID: ADA
• InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
• InChIKey: AEMOLEFTQBMNLQ-BKBMJHBISA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.341: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
  CACTVS 3.341: O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
  ACDLabs 10.04: O=C(O)C1OC(O)C(O)C(O)C1O
  OpenEye OEToolkits 1.5.0: [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
• Formula: C6 H10 O7
• Name: alpha-D-galactopyranuronic acid;
  alpha-D-galacturonic acid;
  D-galacturonic acid;
  galacturonic acid;
  ALPHA D-GALACTURONIC ACID
• DrugBank: DB03511
• ZINC: ZINC000004228259
• PDB chain: 7vew Chain C Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7vew Substrate size-dependent conformational changes of bacterial pectin-binding protein crucial for chemotaxis and assimilation.
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): N53 R57 E216 R466 R496 E505 W594
• Binding residue (residue number reindexed from 1): N52 R56 E215 R465 R495 E504 W593
• Annotation score: 4

External links

• PDB: RCSB:7vew, PDBe:7vew, PDBj:7vew
• PDBsum: 7vew
• PubMed: 35879323