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5UUC

Tetragonal thermolysin cryocooled to 100 K with 50% mpd 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
AHOH585

site_idAC2
Number of Residues7
Detailsbinding site for residue ZN A 402
ChainResidue
AASP185
AGLU190
ACA401
AHOH521
AHOH550
AGLU177
AASN183

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 403
ChainResidue
AASP57
AASP59
AGLN61
AHOH576
AHOH656
AHOH799

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 404
ChainResidue
ATYR193
ATHR194
AILE197
AASP200
AHOH584
AHOH778

site_idAC5
Number of Residues7
Detailsbinding site for residue ZN A 405
ChainResidue
AHIS142
AGLU143
AHIS146
AGLU166
AZN406
AZN407
AHOH715

site_idAC6
Number of Residues10
Detailsbinding site for residue ZN A 406
ChainResidue
ATYR157
AGLU166
AHIS231
AZN405
AZN407
AMRD420
AHOH502
AHOH580
AHOH699
AHOH715

site_idAC7
Number of Residues9
Detailsbinding site for residue ZN A 407
ChainResidue
AGLU143
AZN405
AZN406
AMRD420
AHOH549
AHOH580
AHOH599
AHOH699
AHOH715

site_idAC8
Number of Residues2
Detailsbinding site for residue ZN A 408
ChainResidue
AASP226
AHIS231

site_idAC9
Number of Residues5
Detailsbinding site for residue ZN A 409
ChainResidue
ALYS239
AZN410
ACL413
ACL414
AHOH714

site_idAD1
Number of Residues5
Detailsbinding site for residue ZN A 410
ChainResidue
AHIS250
AZN409
ACL415
ACL416
AHOH714

site_idAD2
Number of Residues6
Detailsbinding site for residue ZN A 411
ChainResidue
AZN412
AHOH530
AHOH615
AHOH785
AHOH808
AHOH841

site_idAD3
Number of Residues6
Detailsbinding site for residue ZN A 412
ChainResidue
AASP213
AZN411
AHOH530
AHOH615
AHOH642
AHOH785

site_idAD4
Number of Residues3
Detailsbinding site for residue CL A 413
ChainResidue
ALYS239
AZN409
ACL414

site_idAD5
Number of Residues5
Detailsbinding site for residue CL A 414
ChainResidue
ALYS239
AZN409
ACL413
AHOH650
AHOH807

site_idAD6
Number of Residues4
Detailsbinding site for residue CL A 415
ChainResidue
AARG47
AASP215
AHIS250
AZN410

site_idAD7
Number of Residues5
Detailsbinding site for residue CL A 416
ChainResidue
ALYS45
AARG47
AHIS250
ATYR251
AZN410

site_idAD8
Number of Residues3
Detailsbinding site for residue CL A 417
ChainResidue
AARG285
AHOH821
AHOH860

site_idAD9
Number of Residues5
Detailsbinding site for residue MPD A 418
ChainResidue
AGLN290
AHOH834
ATYR274
AGLN283
AALA286

site_idAE1
Number of Residues4
Detailsbinding site for residue MPD A 419
ChainResidue
AASN33
AGLY36
AASN37
APHE40

site_idAE2
Number of Residues10
Detailsbinding site for residue MRD A 420
ChainResidue
AASN112
AALA113
ALEU133
AHIS142
AGLU143
ALEU202
AZN406
AZN407
AHOH502
AHOH580

site_idAE3
Number of Residues7
Detailsbinding site for residue MPD A 421
ChainResidue
ASER25
ATYR29
ATYR211
AGLY212
AASP213
AHOH615
AHOH785

site_idAE4
Number of Residues5
Detailsbinding site for residue MPD A 422
ChainResidue
AGLU187
AGLY199
AHOH510
AHOH623
AHOH708

site_idAE5
Number of Residues5
Detailsbinding site for residue MRD A 423
ChainResidue
ALEU14
AASN96
AASP191
AHOH526
AHOH679

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

218853

PDB entries from 2024-04-24

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