Structure of PDB 7w1e Chain C Binding Site BS02

Receptor Information
>7w1e Chain C (length=642) Species: 1194091 (Klebsiella phage NTUH-K2044-K1-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERVFSDLASMVAYPNFQVQDKITLLGSAGGDFTFTTTASVVDNGTVFAVP
GGYLLRKFVGPAYSSWFSNWTGIVTFMSAPNRHLVVDTVLQATSVLNIKS
NSTLEFTDTGRILPDAAVARQVLNITGSAPSVFVPLAADAAAGSKVITVA
AGALSAVKGTYLYLRSNKLCDGGPNTYGVKISQIRKVVGVSTSGGVTSIR
LDKTLHYNYYLSDAAEVGIPTMVENVTLVSPYINEFGYDDLNRFFTIGIS
ANFAADLHIQDGVIIGNKRPGASDIEGRSAIKFNNCVDSTVKGTCFYNIG
WYGVEVLGCSEDTEVHDIHAMDVRHAISLNWQSTADGDKWGEPIEFLGVN
CEAYSTTQAGFDTHDIGKRVKFVRCVSYDSAAAGFQARTNGVEYLNCRAY
RAAMDGFASNTGVAFPIYRECLAYDNVRSGFNCSYGGGYVYDCEAHGSQN
GVRINGGRVKGGRYTRNSSSHIFVTKDVAETAQTSLEIDGVSMRYDGTGR
AVYFHGTVGIDPTLVSMSNNDMTGHGLFWALLSGYTVQPTPPRMSRNLLD
DTGIRGVATLVAGEATVNARVRGNFGSVANSFKWVSEVKLTRLTFPSSAG
ALTVTSVAQNQDVPTPNPDLNSFVIRSSNAADVSQVAWEVYL
Ligand information
Ligand ID98U
InChIInChI=1S/C8H14O6/c1-3-5(10)7(14-4(2)9)6(11)8(12)13-3/h3,5-8,10-12H,1-2H3/t3-,5+,6-,7+,8+/m0/s1
InChIKeyDSRWWNDXQIXWDI-RMQBOJNYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1C(C(C(C(O1)O)O)OC(=O)C)O
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[CH](OC(C)=O)[CH]1O
OpenEye OEToolkits 2.0.7C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)OC(=O)C)O
CACTVS 3.385C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1O
ACDLabs 12.01OC1C(OC(=O)C)C(O)C(OC1C)O
FormulaC8 H14 O6
Name3-O-acetyl-6-deoxy-alpha-L-galactopyranose
ChEMBL
DrugBank
ZINC
PDB chain7w1e Chain J Residue 2 [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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PDB7w1e Structural and biological insights into Klebsiella pneumoniae surface polysaccharide degradation by a bacteriophage K1 lyase: implications for clinical use.
Resolution1.46 Å
Binding residue
(original residue number in PDB)		E285 K291 E314
Binding residue
(residue number reindexed from 1)		E276 K282 E305
Annotation score1
Enzymatic activity
Enzyme Commision number 4.-.-.-
Gene Ontology
Biological Process
GO:0046718 symbiont entry into host cell
GO:0098671 adhesion receptor-mediated virion attachment to host cell
GO:0098994 symbiont entry into host cell via disruption of host cell envelope
GO:0098996 symbiont entry into host cell via disruption of host cell glycocalyx
Cellular Component
GO:0098015 virus tail

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7w1e, PDBe:7w1e, PDBj:7w1e
PDBsum7w1e
PubMed35130876
UniProtA0A068Q5Q5|DEPOL_BPKNT Depolymerase, capsule K1-specific (Gene Name=ORF34)

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