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5UUD

Tetragonal thermolysin cryocooled to 100 K with 50% dmf as cryoprotectant

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues7
Detailsbinding site for residue CA A 401
ChainResidue
AASP138
AGLU177
AASP185
AGLU187
AGLU190
AZN402
AHOH626

site_idAC2
Number of Residues8
Detailsbinding site for residue ZN A 402
ChainResidue
AASN183
AASP185
AGLU190
ACA401
AHOH523
AHOH527
AGLU177
ALYS182

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 403
ChainResidue
AASP57
AASP59
AGLN61
AHOH541
AHOH622
AHOH790

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 404
ChainResidue
ATYR193
ATHR194
AILE197
AASP200
AHOH615
AHOH785

site_idAC5
Number of Residues7
Detailsbinding site for residue ZN A 405
ChainResidue
AHIS142
AGLU143
AHIS146
AGLU166
AZN406
AZN407
AHOH746

site_idAC6
Number of Residues8
Detailsbinding site for residue ZN A 406
ChainResidue
AGLU166
AHIS231
AZN405
AZN407
AHOH520
AHOH746
AHOH799
AHOH815

site_idAC7
Number of Residues8
Detailsbinding site for residue ZN A 407
ChainResidue
AGLU143
AZN405
AZN406
ADMF418
AHOH573
AHOH654
AHOH746
AHOH799

site_idAC8
Number of Residues5
Detailsbinding site for residue ZN A 408
ChainResidue
ALYS239
AZN409
ACL410
ACL411
AHOH774

site_idAC9
Number of Residues5
Detailsbinding site for residue ZN A 409
ChainResidue
AHIS250
AZN408
ACL412
ACL413
AHOH774

site_idAD1
Number of Residues2
Detailsbinding site for residue CL A 410
ChainResidue
AGLY247
AZN408

site_idAD2
Number of Residues4
Detailsbinding site for residue CL A 411
ChainResidue
ASER206
ALYS239
AZN408
ACL412

site_idAD3
Number of Residues4
Detailsbinding site for residue CL A 412
ChainResidue
AASP215
AHIS250
AZN409
ACL411

site_idAD4
Number of Residues5
Detailsbinding site for residue CL A 413
ChainResidue
ALYS45
AARG47
AHIS250
ATYR251
AZN409

site_idAD5
Number of Residues5
Detailsbinding site for residue DMF A 414
ChainResidue
ATYR274
AALA286
AALA287
AHOH525
AHOH605

site_idAD6
Number of Residues7
Detailsbinding site for residue DMF A 415
ChainResidue
AASP150
ATYR151
ATRP186
ASER206
ATYR242
AHOH576
AHOH659

site_idAD7
Number of Residues6
Detailsbinding site for residue DMF A 416
ChainResidue
ATYR66
AHIS216
ASER218
ATYR251
AHOH591
AHOH690

site_idAD8
Number of Residues6
Detailsbinding site for residue DMF A 417
ChainResidue
ATYR27
ATYR29
AALA56
AGLY212
APRO214
AHOH603

site_idAD9
Number of Residues7
Detailsbinding site for residue DMF A 418
ChainResidue
AALA113
AHIS142
AGLU143
ALEU202
AARG203
AZN407
AHOH520

site_idAE1
Number of Residues5
Detailsbinding site for residue DMF A 419
ChainResidue
AASN21
AARG35
ATYR75
AHOH691
AHOH719

site_idAE2
Number of Residues3
Detailsbinding site for residue DMF A 420
ChainResidue
ATHR299
AGLN301
AHOH517

site_idAE3
Number of Residues6
Detailsbinding site for residue DMF A 421
ChainResidue
AASP16
AGLN17
ALYS18
ATYR75
ATYR76
ALYS182

site_idAE4
Number of Residues2
Detailsbinding site for residue DMF A 422
ChainResidue
APHE114
AHOH867

site_idAE5
Number of Residues5
Detailsbinding site for residue DMF A 423
ChainResidue
AILE1
ATYR29
ALEU54
ALYS210
AGLY212

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VVAHELTHAV
ChainResidueDetails
AVAL139-VAL148

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:4808703
ChainResidueDetails
AGLU143

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:4808703
ChainResidueDetails
AHIS231

site_idSWS_FT_FI3
Number of Residues16
DetailsBINDING:
ChainResidueDetails
AASP57
AASP185
AGLU187
AGLU190
ATYR193
ATHR194
AILE197
AASP200
AASP59
AGLN61
AASP138
AHIS142
AHIS146
AGLU166
AGLU177
AASN183

Catalytic Information from CSA
site_idMCSA1
Number of Residues7
DetailsM-CSA 176
ChainResidueDetails
AHIS142metal ligand
AGLU143electrostatic stabiliser, metal ligand
AHIS146metal ligand
ATYR157electrostatic stabiliser, hydrogen bond donor, steric role
AGLU166metal ligand
AASP226activator, electrostatic stabiliser, hydrogen bond acceptor
AHIS231hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

237735

PDB entries from 2025-06-18

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