Structure of PDB 2z1k Chain A Binding Site BS05

Receptor Information

>2z1k Chain A (length=474) Species: 300852 (Thermus thermophilus HB8)

AWYEGAFFYQIFPDRFFRAGPPGRPAPAGPFEPWEAPPTLRGFKGGTLWG
VAEKLPYLLDLGVEAIYLNPVFASTANHRYHTVDYFQVDPILGGNEALRH
LLEVAHAHGVRVILDGVFNHTGRGFFAFQHLMENGEQSPYRDWYHVKGFP
LKAYTAHPNYEAWWGNPELPKLKVETPAVREYLLAVAEHWIRFGVDGWRL
DVPNEIPDPTFWREFRQRVKGANPEAYIVGEIWEEADFWLQGDMFDAVMN
YPLARAVLGFVGGEALDRDLAAQTGLGRIEPLQALAFSHRLEDLFGRYRP
EVVRAQMNLLTSHDTPRLLSLMRGSVERARLALALLFLLPGNPTVYYGEE
VGMAGGKDPENRGGMVWEEARWQKDLRETVKRLARLRKEHPALRTAPYLR
IYAQDGHLAFARGPYLAVVNASPHPFRQDFPLHGVFPRGGRAVDLLSGEV
CTPQGGRLCGPVLPPFSLALWREA

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: 2z1k Chain F Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2z1k Crystal Structure of Ttha1563 from Thermus thermophilus HB8
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): Y81 H121 W164 L170 D202 E232 H314 D315
• Binding residue (residue number reindexed from 1): Y80 H120 W163 L169 D201 E231 H313 D314
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D116 R200 D202 E232 H314 D315
• Catalytic site (residue number reindexed from 1): D115 R199 D201 E231 H313 D314
• Enzyme Commision number: 3.2.1.41: pullulanase.

Gene Ontology

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:2z1k, PDBe:2z1k, PDBj:2z1k
• PDBsum: 2z1k
• UniProt: Q5SI17