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5V8U

Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
A0008270molecular_functionzinc ion binding
B0004222molecular_functionmetalloendopeptidase activity
B0006508biological_processproteolysis
B0008270molecular_functionzinc ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue ZN A 501
ChainResidue
AHIS223
AHIS227
AGLU262
A90M502

site_idAC2
Number of Residues12
Detailsbinding site for residue 90M A 502
ChainResidue
ATHR220
AGLU224
AGLU262
ATYR366
AZN501
AHOH650
AHOH731
AILE161
APHE163
ATHR193
APHE194
ATHR215

site_idAC3
Number of Residues4
Detailsbinding site for residue ZN B 501
ChainResidue
BHIS223
BHIS227
BGLU262
B90M502

site_idAC4
Number of Residues11
Detailsbinding site for residue 90M B 502
ChainResidue
BILE161
BPHE163
BTHR193
BPHE194
BTHR215
BTHR220
BGLU224
BGLU262
BTYR366
BZN501
BHOH662

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. TLAHELIHAG
ChainResidueDetails
ATHR220-GLY229

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095
ChainResidueDetails
AGLU224
BGLU224

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0000305|PubMed:9783750, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0
ChainResidueDetails
AHIS223
AHIS227
BHIS223
BHIS227

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0
ChainResidueDetails
AGLU262
BGLU262

site_idSWS_FT_FI4
Number of Residues4
DetailsSITE: Transition state stabilizer => ECO:0000305|PubMed:11827515
ChainResidueDetails
BARG363
BTYR366
AARG363
ATYR366

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PDB entries from 2024-05-15

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