Structure of PDB 5unc Chain D Binding Site BS01

Receptor Information

>5unc Chain D (length=287) Species: 58346 (Streptomyces platensis)

HGAAQLRALFDAPGTVRIAGAHNPLGARLAERAGFDGIWSSGLEISASQG
LPDADILTMTELLGVAGSMASAVGVPVVADCDTGYGNANNVMHMVRRYEA
AGIAAVTIEDKRFPKVNSFIPGRQELASVPEFCGRIEAAKDAQRDPDFMV
IARIEALIAGWDLDEALRRGEAYAAAGADAVLIHAKSGSPQPVLDFLQRW
HLPQPVVVVPTTYHTISAAELGAAGAKMVVYANHGLRAGIQAVSQTFETI
LKDGRTTAIEDHIAPLTTVFDLQGMDEFQENEKRFVR

Ligand information

• Ligand ID: XYS
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
• InChIKey: SRBFZHDQGSBBOR-LECHCGJUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: alpha-D-xylopyranose;
  alpha-D-xylose;
  D-xylose;
  xylose;
  XYLOPYRANOSE
• DrugBank: DB03389
• ZINC: ZINC000001529214
• PDB chain: 5unc Chain C Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5unc The crystal structure of PHOSPHOENOLPYRUVATE PHOSPHOMUTASE from Streptomyces platensis subsp. rosaceus
• Resolution: 1.71 Å
• Binding residue (original residue number in PDB): H40 G257 I258 V261
• Binding residue (residue number reindexed from 1): H22 G239 I240 V243
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): W57 S59 G60 L61 D71 D98 D100 T125 E127 K133 N135 S136 R171 H202 V227
• Catalytic site (residue number reindexed from 1): W39 S41 G42 L43 D53 D80 D82 T107 E109 K115 N117 S118 R153 H184 V209

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity

External links

• PDB: RCSB:5unc, PDBe:5unc, PDBj:5unc
• PDBsum: 5unc
• UniProt: A0A0A0V023