Structure of PDB 7pug Chain A Binding Site BS03

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7pug Chain A Residue 914 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		K416 D448
Binding residue
(residue number reindexed from 1)		K407 D439
Annotation score4
External links