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4WZV

Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
A0008237molecular_functionmetallopeptidase activity
A0008270molecular_functionzinc ion binding
A0031012cellular_componentextracellular matrix
B0004222molecular_functionmetalloendopeptidase activity
B0006508biological_processproteolysis
B0008237molecular_functionmetallopeptidase activity
B0008270molecular_functionzinc ion binding
B0031012cellular_componentextracellular matrix
Functional Information from PDB Data
site_idAC1
Number of Residues20
Detailsbinding site for residue E40 A 301
ChainResidue
ALEU187
AHIS236
ALEU243
ATYR245
APRO246
AMET247
ATYR248
AZN302
APGO308
BTYR245
BPRO246
ALEU188
BMET247
AALA189
AHIS190
AALA191
AHIS226
AGLU227
AHIS230
AASP235

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 302
ChainResidue
AHIS226
AHIS230
AHIS236
AE40301

site_idAC3
Number of Residues4
Detailsbinding site for residue ZN A 303
ChainResidue
AHIS175
AASP177
AHIS190
AHIS203

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 304
ChainResidue
AASP165
AGLY197
AGLN199
AASP201
AHOH699
AHOH703

site_idAC5
Number of Residues4
Detailsbinding site for residue CA A 305
ChainResidue
AASP131
AASP206
AGLU208
AHOH804

site_idAC6
Number of Residues6
Detailsbinding site for residue CA A 306
ChainResidue
AASP182
AGLY183
AASP185
ALEU187
AASP205
AGLU208

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 307
ChainResidue
AVAL172
AASP206
AASP207

site_idAC8
Number of Residues3
Detailsbinding site for residue PGO A 308
ChainResidue
AARG249
ATHR251
AE40301

site_idAC9
Number of Residues3
Detailsbinding site for residue PGO A 309
ChainResidue
AASP207
AHOH796
AHOH884

site_idAD1
Number of Residues2
Detailsbinding site for residue PEG A 310
ChainResidue
AHOH632
AHOH803

site_idAD2
Number of Residues3
Detailsbinding site for residue PEG A 311
ChainResidue
AVAL172
AHOH645
AHOH651

site_idAD3
Number of Residues20
Detailsbinding site for residue E40 B 301
ChainResidue
ATYR245
APRO246
AMET247
BLEU187
BLEU188
BALA189
BHIS190
BALA191
BLEU222
BHIS226
BGLU227
BHIS230
BASP235
BHIS236
BLEU243
BTYR245
BPRO246
BMET247
BZN302
BHOH915

site_idAD4
Number of Residues4
Detailsbinding site for residue ZN B 302
ChainResidue
BHIS226
BHIS230
BHIS236
BE40301

site_idAD5
Number of Residues4
Detailsbinding site for residue ZN B 303
ChainResidue
BHIS175
BASP177
BHIS190
BHIS203

site_idAD6
Number of Residues6
Detailsbinding site for residue CA B 304
ChainResidue
BASP165
BGLY197
BGLN199
BASP201
BHOH740
BHOH742

site_idAD7
Number of Residues4
Detailsbinding site for residue CA B 305
ChainResidue
BASP131
BASP206
BGLU208
BHOH656

site_idAD8
Number of Residues6
Detailsbinding site for residue CA B 306
ChainResidue
BLEU187
BASP205
BGLU208
BASP182
BGLY183
BASP185

site_idAD9
Number of Residues3
Detailsbinding site for residue EDO B 307
ChainResidue
BTYR160
BHOH627
BHOH640

site_idAE1
Number of Residues1
Detailsbinding site for residue AZI B 308
ChainResidue
BHOH644

site_idAE2
Number of Residues2
Detailsbinding site for residue NA B 310
ChainResidue
BPEG317
BHOH709

site_idAE3
Number of Residues4
Detailsbinding site for residue NA B 311
ChainResidue
AHOH786
AHOH841
BHOH856
BHOH859

site_idAE4
Number of Residues4
Detailsbinding site for residue NA B 312
ChainResidue
BARG158
BHOH744
BHOH766
BHOH839

site_idAE5
Number of Residues2
Detailsbinding site for residue NA B 313
ChainResidue
BSER238
BHOH835

site_idAE6
Number of Residues6
Detailsbinding site for residue NA B 314
ChainResidue
BLYS184
BGLY217
BGLY269
BHOH626
BHOH660
BHOH680

site_idAE7
Number of Residues3
Detailsbinding site for residue NA B 315
ChainResidue
AHOH730
AHOH813
BHOH753

site_idAE8
Number of Residues9
Detailsbinding site for residue GOL B 316
ChainResidue
AALA146
ASER149
BGLU241
BPRO254
BLEU256
BHIS257
BHOH601
BHOH611
BHOH857

site_idAE9
Number of Residues4
Detailsbinding site for residue PEG B 317
ChainResidue
BNA310
BHOH613
BHOH653
BHOH766

site_idAF1
Number of Residues2
Detailsbinding site for residue PEG B 318
ChainResidue
BHOH794
BHOH806

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VAAHEFGHAL
ChainResidueDetails
AVAL223-LEU232

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:12051944
ChainResidueDetails
AGLU227
BGLU227

site_idSWS_FT_FI2
Number of Residues24
DetailsBINDING: BINDING => ECO:0000269|PubMed:12051944
ChainResidueDetails
AASP131
AASP205
AASP206
AGLU208
BASP131
BASP165
BASP182
BGLY183
BASP185
BLEU187
BGLY197
AASP165
BGLN199
BASP201
BASP205
BASP206
BGLU208
AASP182
AGLY183
AASP185
ALEU187
AGLY197
AGLN199
AASP201

site_idSWS_FT_FI3
Number of Residues14
DetailsBINDING: BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
ChainResidueDetails
AHIS175
BHIS190
BHIS203
BHIS226
BHIS230
BHIS236
AASP177
AHIS190
AHIS203
AHIS226
AHIS230
AHIS236
BHIS175
BASP177

site_idSWS_FT_FI4
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN120
AASN127
BASN120
BASN127

218853

PDB entries from 2024-04-24

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