Structure of PDB 5hqb Chain A Binding Site BS01

Receptor Information

>5hqb Chain A (length=662) Species: 1719649 (Pseudoalteromonas sp. K8)

ATVQSPDGNIKIIISDEQSTPSYSISFKNKTVINNSALGFEFKQHAPFSN
SFKITKVQQQSTNTQWQQPWGERQTVVDQHNEVTVTFAKPQPQGGTYSVR
FKAFDSGVGFRYEVPKQAGLNNIEITKELTEFAVNNSHTATAWWIPARGW
NRYEYVYNTTPLNDAALVHTPFTFKNQDGVHISIHEAALVDYAAMVLNQR
RPGVFQADLTPWSSGVAVKKQGAFNTPWRTIQIGEKAVDLVNSDIILNLN
EPNKLGDVSWVKPGKYIGIWWGMHINTHTWGSGDKHGATTKNTKYYMDFA
AKYGFDGVLVEGWNTGWDGDWFFNGDVFSFTQPYDDFDIAALTKYSKQTG
VQLIGHHETSGNVSNYRKQMADAFALYEKSNVSQVKTGYVADGGNIKRID
KNGIARHEWHDGQFMVNEYLHNVKLAAKHKISINTHEPIKDTGLRRTYPN
WITREGARGQQFNAWGTPPNPPEHISMLAFTRMLAGPMDFTPGIFDLSFN
GLGANTNRPQTTLAKQLALYVVLYSPIQMAADLPKNYLAKPDAFQFIQDV
PTDWQQSIALDGAVGDFIVFARKERKRDKYTGNDWYLGAVTDEQARTIEI
SLDFLDNGKQFEAHIYKDGKNAEWKNNPYDLTIEKRLVTASDKLTLKLAT
SGGTAIRFKALL

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 5hqb Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hqb Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): N170 R171 E173 V409 Q480
• Binding residue (residue number reindexed from 1): N151 R152 E154 V390 Q461
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0046872 metal ion binding

External links

• PDB: RCSB:5hqb, PDBe:5hqb, PDBj:5hqb
• PDBsum: 5hqb
• PubMed: 27645700
• UniProt: A0A0Y0DFX2