Structure of PDB 1v0f Chain C Binding Site BS02

Receptor Information
>1v0f Chain C (length=666) Species: 344021 (Escherichia phage K1F) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAKGDGVTDDTAALTSALNDTPVGQKINGNGKTYKVTSLPDISRFINTRF
VYERIPGQPLYYASEEFVQGELFKITDTPYYNAWPQDKAFVYENVIYAPY
MGSDRHGVSRLHVSWVKSGDDGQTWSTPEWLTDLHPDYPTVNYHCMSMGV
CRNRLFAMIETRTLAKNALTNCALWDRPMSRSLHLTGGITKAANQRYATI
HVPDHGLFVGDFVNFSNSAVTGVSGDMTVATVIDKDNFTVLTPNQQTSDL
NNAGKNWHMGTSFHKSPWRKTDLGLIPSVTEVHSFATIDNNGFAMGYHQG
DVAPREVGLFYFPDAFNSPSNYVRRQIPSEYEPDASEPCIKYYDGVLYLI
TRGTRGDRLGSSLHRSRDIGQTWESLRFPHNVHHTTLPFAKVGDDLIMFG
SERAENEWEAGAPDDRYKASYPRTFYARLNVNNWNADDIEWVNITDQIYQ
GGIVNSGVGVGSVVVKDNYIYYMFGGEDHFNPWTYGDNSAKDPFKSDGHP
SDLYCYKMKIGPDNRVSRDFRYGAVPNRAVPVFFDTNGVRTVPAPMEFTG
DLGLGHVTIRASTSSNIRSEVLMEGEYGFIGKSIPTDNPAGQRIIFCGGE
GTSSTTGAQITLYGANNTDSRRIVYNGDEHLFQSADVKPYNDNVTALGGP
SNRFTTAYLGSNPIVT
Ligand information
Ligand IDSLB
InChIInChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
InChIKeySQVRNKJHWKZAKO-PFQGKNLYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
CACTVS 3.341CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
FormulaC11 H19 N O9
NameN-acetyl-beta-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
O-sialic acid;
5-N-ACETYL-BETA-D-NEURAMINIC ACID;
BETA-SIALIC ACID
ChEMBLCHEMBL165084
DrugBankDB04265
ZINCZINC000003793840
PDB chain1v0f Chain C Residue 1685 [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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PDB1v0f Crystal Structure of the Polysialic Acid-Degrading Endosialidase of Bacteriophage K1F
Resolution2.55 Å
Binding residue
(original residue number in PDB)		R837 I839 T846 S848 Q853
Binding residue
(residue number reindexed from 1)		R593 I595 T602 S604 Q609
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y325 H350 E581 R596 R647
Catalytic site (residue number reindexed from 1) Y81 H106 E337 R352 R403
Enzyme Commision number 3.2.1.129: endo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0016996 endo-alpha-(2,8)-sialidase activity

View graph for
Molecular Function
External links
PDB RCSB:1v0f, PDBe:1v0f, PDBj:1v0f
PDBsum1v0f
PubMed15608653
UniProtQ04830|FIBER_BPK1F Tail spike protein

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