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3G42

Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
A0008237molecular_functionmetallopeptidase activity
B0004222molecular_functionmetalloendopeptidase activity
B0006508biological_processproteolysis
B0008237molecular_functionmetallopeptidase activity
C0004222molecular_functionmetalloendopeptidase activity
C0006508biological_processproteolysis
C0008237molecular_functionmetallopeptidase activity
D0004222molecular_functionmetalloendopeptidase activity
D0006508biological_processproteolysis
D0008237molecular_functionmetallopeptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 792 A 1
ChainResidue
ATHR347
AALA439
AVAL440
AZN500
AHOH535
AHOH543
AHOH545
CVAL373
CLYS375
ALEU348
AGLY349
AVAL353
AHIS405
AGLU406
AHIS409
AHIS415
APRO437

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 500
ChainResidue
A7921
AHIS405
AHIS409
AHIS415

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 792 B 2
ChainResidue
BTHR347
BLEU348
BGLY349
BVAL353
BGLU398
BLEU401
BVAL402
BHIS405
BGLU406
BHIS409
BHIS415
BALA439
BVAL440
BZN500
BHOH530
BHOH552

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 500
ChainResidue
B7922
BHIS405
BHIS409
BHIS415

site_idAC5
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 792 C 3
ChainResidue
CHOH123
CTHR347
CLEU348
CGLY349
CVAL353
CGLU398
CLEU401
CHIS405
CGLU406
CHIS409
CHIS415
CPRO437
CALA439
CVAL440
CZN500
CHOH566

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 500
ChainResidue
C7923
CHIS405
CHIS409
CHIS415

site_idAC7
Number of Residues15
DetailsBINDING SITE FOR RESIDUE 792 D 4
ChainResidue
DHOH183
DTHR347
DLEU348
DGLY349
DVAL353
DGLU398
DLEU401
DHIS405
DGLU406
DHIS409
DHIS415
DPRO437
DALA439
DVAL440
DZN500

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 500
ChainResidue
D7924
DHIS405
DHIS409
DHIS415

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VTTHELGHNF
ChainResidueDetails
AVAL402-PHE411

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU00276, ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:9520379
ChainResidueDetails
AGLU406
BGLU406
CGLU406
DGLU406

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:9520379
ChainResidueDetails
AHIS405
DHIS405
DHIS409
DHIS415
AHIS409
AHIS415
BHIS405
BHIS409
BHIS415
CHIS405
CHIS409
CHIS415

site_idSWS_FT_FI3
Number of Residues8
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN264
AGLN452
BASN264
BGLN452
CASN264
CGLN452
DASN264
DGLN452

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PDB entries from 2024-07-10

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