Structure of PDB 7uqw Chain B Binding Site BS01

Receptor Information
>7uqw Chain B (length=263) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAILIIGGAEDKVHGREILQTFWSRSGGNDAIIGIIPSASREPLLIGERY
QTIFSDMGVKELKVLDIRDRAQGDDSGYRLFVEQCTGIFMTGGDQLRLCG
LLADTPLMDRIRQRVHNGEISLAGTAAGAAVMGHHMIAGGSSGEWPNRAL
VDMAVGLGIVPEIVVDQHFHNRNRMARLLSAISTHPELLGLGIDEDTCAM
FERDGSVKVIGQGTVSFVDARDMSYTNAALVGANAPLSLHNLRLNILVHG
EVYHQVKQRAFPR
Ligand information
Ligand ID7ID
InChIInChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
InChIKeyQCGCETFHYOEVAI-WDSKDSINSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[CH](CC(=O)N[CH](CCCNC(N)=N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(C(=O)O)NC(=O)CC(C(=O)O)N)CNC(=N)N
ACDLabs 12.01O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O
FormulaC10 H19 N5 O5
Name(2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
ChEMBL
DrugBank
ZINCZINC000050026817
PDB chain7uqw Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7uqw The structure of cyanophycinase in complex with a cyanophycin degradation intermediate.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G98 G99 D100 Q101 X132 A133 Q173 R180 R183
Binding residue
(residue number reindexed from 1)		G92 G93 D94 Q95 X126 A127 Q167 R174 R177
Annotation score5
Enzymatic activity
Enzyme Commision number 3.4.15.6: cyanophycinase.
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
GO:0016787 hydrolase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006508 proteolysis
GO:0043170 macromolecule metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7uqw, PDBe:7uqw, PDBj:7uqw
PDBsum7uqw
PubMed35905922
UniProtP73832|CPHB_SYNY3 Cyanophycinase (Gene Name=cphB)

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