Structure of PDB 7nit Chain D Binding Site BS01

Receptor Information
>7nit Chain D (length=1253) Species: 1681 (Bifidobacterium bifidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSDSTTQMSSTPEVVYSSAVDSKQNRTSDFDANWKFMLSDSVQAQDPAFD
DSAWQQVDLPHDYSITQKYSQSNEAESAYLPGGTGWYRKSFTIDRDLAGK
RIAINFDGVYMNATVWFNGVKLGTHPYGYSPFSFDLTGNAKFGGENTIVV
KVENRLPSSRWYSGSGIYRDVTLTVTDGVHVGNNGVAIKTPSLATQNGGN
VTMNLTTKVANDTKAAANITLKQTVFPKGGKTDAAIGTVTTASKSIAAGA
SADVTSTITAASPKLWSIKNPNLYTVRTEVLNGGKVLDTYDTEYGFRWTG
FDATSGFSLNGEKVKLKGVSMHHDQGSLGAVANRRAIERQVEILQKMGVN
SIRTTHNPAAKALIDVCNEKGVLVVEEVFDMWNRSKNGNTEDYGKWFGQA
IAGDNAVLGGDKDETWAKFDLTSTINRDRNAPSVIMWSLGNEMMEGISGS
VSGFPATSAKLVAWTKAADSTRPMTYGDNKIKANWNESNTMGDNLTANGG
VVGTNYSDGANYDKIRTTHPSWAIYGSETASAINSRGIYNRTTGGAQSSD
KQLTSYDNSAVGWGAVASSAWYDVVQRDFVAGTYVWTGFDYLGEPTPWNG
TGSGAVGSWPSPKNSYFGIVDTAGFPKDTYYFYQSQWNDDVHTLHILPAW
NENVVAKGSGNNVPVVVYTDAAKVKLYFTPKGSTEKRLIGEKSFTKKTTA
AGYTYQVYEGADKDSTAHKNMYLTWNVPWAEGTISAEAYDENNRLIPEGS
TEGNASVTTTGKAAKLKADADRKTITADGKDLSYIEVDVTDANGHIVPDA
ANRVTFDVKGAGKLVGVDNGSSPDHDSYQADNRKAFSGKVLAIVQSTKEA
GEITVTAKADGLQSSTVKIATTAVPGTSTEKTVRSFYYSRNYYVKTGNKP
ILPSDVEVRYSDGTSDRQNVTWDAVSDDQIAKAGSFSVAGTVAGQKISVR
VTMIDEIGALLNYSASTPVGTPAVLPGSRPAVLPDGTVTSANFAVDWTKP
ADTVYNTAGTVKVPGTATVFGKEFKVTATIRVQRSQVTIGSSVSGNALRL
TQNIPADKQSDTLDAIKDGSTTVDANTGGGANPSAWTNWAYSKAGHNTAE
ITFEYATEQQLGQIVMYFFRDSNAVRFPDAGKTKIQISADGKNWTDLAAT
ETIAAQESSERVKPYTYDFAPVGATFVKVTVTNADTTTPSGVVCAGLTEI
ELKTATSKFVTNTSAALSSAEGEGNASVTVLPAHDNVIRVITESEDHVTR
KTF
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 chain7nit Chain D Residue 2304 [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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PDB7nit Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Resolution2.89 Å
Binding residue
(original residue number in PDB)		A1070 D1073 S1075 T1203 E1204
Binding residue
(residue number reindexed from 1)		A1065 D1068 S1070 T1198 E1199
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7nit, PDBe:7nit, PDBj:7nit
PDBsum7nit
PubMed34866612
UniProtA0A415C3Q2

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