Structure of PDB 6sea Chain A Binding Site BS03

Receptor Information
>6sea Chain A (length=989) Species: 1492190 (Arthrobacter sp. 32cB) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRSLELGAADIQDLESFEAGRGALPARAYLQSDAPRLSLNGEWQFRLSPG
SRVAPDDGWQLGEALNGFESLPVPSSWPMHGHGAPAYTNVQFPFAVEPPH
VPEANPIGDHLVVFEAGPEFFPHALLRFDGIESAGTVWLNGVELGTTRGS
RLAHEFDVSGILEQGENTLAVRVAQFSAASYVEDQDMWWLPGIFRDVTLQ
ARPAAGIDDVFVHAGYDHITGEGILKVEASRGGQAIDAVVRVPELALELA
AGTEVRVPAVEPWSAEVPKLYEAAVSAAGESVALQIGFRSIAIEDAQFKV
NGRRILLRGVNRHEHHPRLGRVVPRDVVEAELRLMKQHNINAIRTSHYPP
HPQFLALADQLGFYVVLECDLETHGFESAGWAQNPSDDPQWEDALVDRMR
RTVERDKNHASVVMWSLGNQAGTGRNLAAMSRWTKDRDPSRPIHYEGDWS
SEHVDVYSRMYASQAETALIGQGIEPALNDAALDARRRAMPFVLCEYVHA
MGNGPGGMSEYQALFEKYPRLMGGFVWEWLEHGITVSTADGVDHYGYGGD
FGEEVHDGNFVTDGLVDADRRPRPGLLDFKKVIEPLRIDVARDWTGFTLR
NGQDFADTSAFSFRYEVEADGGALDGGTVDVAPVAPQSETVVELPGSVAA
LAAGLSDGRPAVLTVRAVLGADSAWADAGHEVAWGQSVREPGAPVPPAPV
EPVQVQDSELTLGPVVFSRATGMPTSIGGVPVEKLGLTLWWAPTDNDLGR
EWGGADERPLATQWKDAGLNRLHTRLLGISANPGQDGGETLTVRTRVSAA
DKQYGVLVDYTWSTDGETVGLRTQVRRDGTWVNRGFEVEWARIGLEFVLG
EETELVSWFGQGPHQSYPDTGQGARAGWFSLPLAKMDVEYVRPQECGARS
GSRSAALQLGGRTLEICGDPFALTVRPYSQDVLDAAAHRPDLKADGRTYL
YVDHALRGVGTAACGPGVLEQYRLKPRDADFILTLKVRS
Ligand information
Ligand IDGAL
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6sea Chain A Residue 1112 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6sea Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB.
Resolution1.869 Å
Binding residue
(original residue number in PDB)		K357 N360 I361 N362 F632
Binding residue
(residue number reindexed from 1)		K336 N339 I340 N341 F611
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005990 lactose catabolic process
GO:0009056 catabolic process
Cellular Component
GO:0009341 beta-galactosidase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6sea, PDBe:6sea, PDBj:6sea
PDBsum6sea
PubMed31484304
UniProtA0A023UGN9

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