Structure of PDB 7w1e Chain D Binding Site BS03

Receptor Information
>7w1e Chain D (length=622) 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]
KITLLGSAGGDFTFTTTASVVDNGTVFAVPGGYLLRKFVGPAYSSWFSNW
TGIVTFMSAPNRHLVVDTVLQATSVLNIKSNSTLEFTDTGRILPDAAVAR
QVLNITGSAPSVFVPLAADAAAGSKVITVAAGALSAVKGTYLYLRSNKLC
DGGPNTYGVKISQIRKVVGVSTSGGVTSIRLDKTLHYNYYLSDAAEVGIP
TMVENVTLVSPYINEFGYDDLNRFFTIGISANFAADLHIQDGVIIGNKRP
GASDIEGRSAIKFNNCVDSTVKGTCFYNIGWYGVEVLGCSEDTEVHDIHA
MDVRHAISLNWQSTADGDKWGEPIEFLGVNCEAYSTTQAGFDTHDIGKRV
KFVRCVSYDSAAAGFQARTNGVEYLNCRAYRAAMDGFASNTGVAFPIYRE
CLAYDNVRSGFNCSYGGGYVYDCEAHGSQNGVRINGGRVKGGRYTRNSSS
HIFVTKDVAETAQTSLEIDGVSMRYDGTGRAVYFHGTVGIDPTLVSMSNN
DMTGHGLFWALLSGYTVQPTPPRMSRNLLDDTGIRGVATLVAGEATVNAR
VRGNFGSVANSFKWVSEVKLTRLTFPSSAGALTVTSVAQNQDVPTPNPDL
NSFVIRSSNAADVSQVAWEVYL
Ligand information
Ligand ID98X
InChIInChI=1S/C9H10O7/c1-9(8(12)13)15-4-2-5(7(10)11)14-3-6(4)16-9/h2,4,6H,3H2,1H3,(H,10,11)(H,12,13)/t4-,6-,9+/m0/s1
InChIKeyILHRGDJLAZPQBR-QKVARQBESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@]1(O[C@H]2COC(=C[C@@H]2O1)C(=O)O)C(=O)O
CACTVS 3.385C[C]1(O[CH]2COC(=C[CH]2O1)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6CC1(OC2COC(=CC2O1)C(=O)O)C(=O)O
CACTVS 3.385C[C@@]1(O[C@H]2COC(=C[C@@H]2O1)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C1(OC2C(O1)C=C(C(=O)O)OC2)C
FormulaC9 H10 O7
Name2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid
ChEMBL
DrugBank
ZINC
PDB chain7w1e Chain D Residue 704 [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)		I256 G286 K291
Binding residue
(residue number reindexed from 1)		I227 G257 K262
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

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Molecular Function
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Biological Process
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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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