Structure of PDB 8v3n Chain A Binding Site BS02

Receptor Information
>8v3n Chain A (length=489) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELRCGGLLFSSRFDSGNLAHVEKVESLSSPDYEFNVWTRPDCAETEFENG
NRSWFYFSVRGGMPGKLIKINIMNMNKQSKLYSQGMAPFVRTLPTRPRWE
RIRDRPTFEMTETQFVLSFVHRFVEGRGATTFFAFCYPFSYSDCQELLNQ
LDQRFPENHPTHSSPLDTIYYHRELLCYSLDGLRVDLLTITSCHGLREDR
EPRLEQLFPDTSTPRPFRFAGKRIFFLSSRVHPGETPSSFVFNGFLDFIL
RPDDPRAQTLRRLFVFKLIPMLNPDGVVRGHYRTDSRGVNLNRQYLKPDA
VLHPAIYGAKAVLLYHHVSGSGVAYYVDLHGHASKRGCFMYGNSFSDEST
QVENMLYPKLISLNSAHFDFQGCNFSEKNMYARDRRDGQSKEGSGRVAIY
KASGIIHSYTLACNYNTGRSVNSIPAACHDNGRASSRYTVELFEQVGRAM
AIAALDMAECNPWPRIVLSEHSSLTNLRAWMLKHVRNSR
Ligand information
Ligand IDA1AAG
InChIInChI=1S/C14H25N2O8P/c1-3-15-13(20)11(16-9(2)17)6-7-25(23,24)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H,23,24)/t10-,11+/m1/s1
InChIKeyFBTVOHNDHFNRHH-MNOVXSKESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCNC(=O)[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=O)NC(C)=O
CACTVS 3.385CCNC(=O)[C@H](CC[P](O)(=O)C[C@@H](CCC(O)=O)C(O)=O)NC(C)=O
OpenEye OEToolkits 2.0.7CCNC(=O)[C@H](CCP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O)NC(=O)C
OpenEye OEToolkits 2.0.7CCNC(=O)C(CCP(=O)(CC(CCC(=O)O)C(=O)O)O)NC(=O)C
ACDLabs 12.01OC(=O)CCC(CP(=O)(O)CCC(NC(C)=O)C(=O)NCC)C(=O)O
FormulaC14 H25 N2 O8 P
Name(2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain8v3n Chain A 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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PDB8v3n Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H252 Y302 R303 N312 R313 H434 G435 H436 A437 S438 Y445 K495 R500 T514
Binding residue
(residue number reindexed from 1)		H232 Y282 R283 N292 R293 H330 G331 H332 A333 S334 Y341 K391 R396 T410
Annotation score1
External links
PDB RCSB:8v3n, PDBe:8v3n, PDBj:8v3n
PDBsum8v3n
PubMed39020174
UniProtQ8NDL9|CBPC5_HUMAN Cytosolic carboxypeptidase-like protein 5 (Gene Name=AGBL5)

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