Structure of PDB 4d71 Chain A Binding Site BS02

Receptor Information
>4d71 Chain A (length=586) Species: 406556 (Streptococcus pneumoniae SP3-BS71) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVDKRREINNEHPLLMMPLYANGEEFNQGKYTFWGGDTLTGKWENIPDDL
KPYTVIQLHPDDLPKRDGAARDFYEHMLEEAAKYVNPKTGKNEPIPVILT
VYTAGNMPYYTSAHWLSTSWIDKMYQKYPNLHGIFSTASYWIWANDIENK
AADYLKVSAKNGGYFIWAEQNSGSAIEKAFGKNGKIAFQKSVDKYWKNLI
FMFKNTPAAEGNDSTTESYMKGLWLSNHTYQWGGLMDTWKWYETGKWKLF
ASGNIGKSQGDRQWLTEPESMLGEEALGVYLNGGVVYNFEHPAYTYGVNN
KESLLFSEVIKEFFRYVIAHPAPSKEKVLEDTKVFIHGDYSNKGNGKFFV
NVNTDREQTPLYMTGRYNVIPAIPGVLKTDKLKESVSSSRIQIKEITSPE
FSSTQARKEYLNKLYPMNYEGDIFAQKLDNRWFVYNYKVNENVKQTGKLK
FNSLEMNVEFEPHTYGIFERISNGLKVNLNNFRTNKDSLWSNAQDANQAK
KLPQLTKKGAIKWIEEHYIKDTQFGEKRVTKIVLRGIDKLPTIHSLSGTN
NSYDQPSLNFDQKNHMVTITINSNGNLEFELHFLEH
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain4d71 Chain B Residue 3 [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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PDB4d71 Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		Y440 H479 T523 E710
Binding residue
(residue number reindexed from 1)		Y20 H59 T103 E290
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.102: blood-group-substance endo-1,4-beta-galactosidase.
Gene Ontology
Molecular Function
GO:0033929 blood-group-substance endo-1,4-beta-galactosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4d71, PDBe:4d71, PDBj:4d71
PDBsum4d71
PubMed25870881
UniProtA0A0H2UKY3

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