Structure of PDB 7pug Chain A Binding Site BS01

Receptor Information
>7pug Chain A (length=829) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGDNKGITYEELNPERFTLLEKGTPTNILIDENEDQGVMIAATNLSEDFG
RVSGTNAPLIFLPDNERLIIVGTLESRYIKELTENRKIKGDELKGKNEKY
LMTVVDNPLPGVKEALIIAGSDKRGAIYGIYELSEQIGVSPWYDWADVPV
KPQQNLSIERGSYTADEPAVTYRGIFLNDEAPALTSWVENTYGTKYGDHR
FYSRVFELILRLRGNFLWPAMWDWSFYGDDPLNSKTADTMGIIMGTSHHE
PMARNHQEWARNRDKYGVWDYTSNQEVIDQFFREGIERVKDTDDLITIGM
RGDGDTPMPSDEDNMRLLERIIKNQREIIGDVTGESPEKTPQVWAIYKEV
QRYFDLGLRPPEDVIILLSDDNWGNVRRLPTEEERDHPGGWGMYYHFDYV
GAPRSSKWLNISPIQNIWEQMQLTYDYGVDELWVANVGDLKPMEYPITLF
LDMAWDPTRFNAENLLDHTRSFAAQQFGEDQADEAARIINLYSKYNGRVT
PEMLDRNTYNLESGEWKKVSDEYIKLEAEALRQYLTLEPEQRDAYKQLIL
YPVQAMANLYEMYYSQAMNHKLYRENNPMANYWADRVEETFNRDAELSHD
YNKVMANGKWDGMMTQKKIGYRSWNDNFPADTLPQIFRIENPEEATGGYV
FTARDGVVVIEAEHYFEAKDAEEAKWTVIPYMGRTLSSIALMPYTKEVEG
ASLSYRMQIPDEVSEVKVHVVVKSTLPFHDPKGHEYRVGFEGGSKEIVNF
NWNLNEEPENIYSVFYPTVASRVVKKDVTLDLHDTDDGFYTLTLEPLDPG
IVFQKIVVDFGGYEESRLFMEESPNKRIE
Ligand information
Ligand IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain7pug Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7pug A GH115 alpha-glucuronidase structure reveals dimerization-mediated substrate binding and a proton wire potentially important for catalysis.
Resolution2.66 Å
Binding residue
(original residue number in PDB)		W220 D221
Binding residue
(residue number reindexed from 1)		W222 D223
Annotation score4
External links