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3E7A

Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin Nodularin-R

Functional Information from GO Data
ChainGOidnamespacecontents
A0016787molecular_functionhydrolase activity
B0016787molecular_functionhydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 402
ChainResidue
AASP64
AHIS66
AASP92
AMN403
AHOH669
CHOH769

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 403
ChainResidue
AHIS248
AMN402
AHOH669
AASP92
AASN124
AHIS173

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD A 301
ChainResidue
ALYS260
AGLN262
AHOH681

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD A 302
ChainResidue
ALYS113
AARG132
AHOH591

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IOD A 303
ChainResidue
AGLY97
ASER100
AGLY135
APHE136
AGLU139
AHOH483

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD A 404
ChainResidue
AARG261
BILE295
BHOH548

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 405
ChainResidue
ALYS260
AARG261

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 406
ChainResidue
AGLN99
ACL304

site_idAC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 407
ChainResidue
AHOH636

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 408
ChainResidue
AARG142
AHOH530
AHOH720

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 304
ChainResidue
ALYS98
AIOD406
AHOH740

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 305
ChainResidue
AGLN198
AGLY199
AASP203
APHE225
AHOH449
AHOH761

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 409
ChainResidue
AGLN49
APRO50
AGLU54
APHE119
AHOH533
AHOH643
AHOH655

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN B 402
ChainResidue
BASP64
BHIS66
BASP92
BMN403
BHOH698
DHOH724

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN B 403
ChainResidue
BASP92
BASN124
BHIS173
BHIS248
BMN402
BHOH698

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 301
ChainResidue
AILE295
BARG261

site_idBC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 302
ChainResidue
BLYS260
BARG261

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IOD B 404
ChainResidue
BGLY97
BSER100
BGLY135
BPHE136
BGLU139
BHOH521

site_idCC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 406
ChainResidue
BGLN262
BHOH703

site_idCC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD B 408
ChainResidue
BTYR69
BTYR70
BGLN99

site_idCC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE AZI B 303
ChainResidue
BGLY215
BGLU230
BVAL231

site_idCC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE AZI B 410
ChainResidue
BSER129
BARG132
BHOH451

site_idCC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 411
ChainResidue
BGLN49
BPRO50
BLEU53
BGLU54
BGLU116
BPHE119
BHOH667

site_idCC6
Number of Residues22
DetailsBINDING SITE FOR CHAIN C OF nodularin R
ChainResidue
ATYR272
AGLU275
APHE276
BGLU184
BARG187
CHOH389
CHOH766
CHOH767
CHOH768
CHOH769
CHOH770
CHOH774
CHOH775
CHOH776
AARG96
ASER129
ATYR134
AVAL195
APRO196
ATRP206
AASP220
AARG221

site_idCC7
Number of Residues20
DetailsBINDING SITE FOR CHAIN D OF nodularin R
ChainResidue
BARG96
BSER129
BTYR134
BVAL195
BPRO196
BASP197
BTRP206
BARG221
BVAL223
BTYR272
BGLU275
BPHE276
BHOH607
BHOH710
DHOH719
DHOH720
DHOH721
DHOH722
DHOH723
DHOH724

Functional Information from PROSITE/UniProt
site_idPS00125
Number of Residues6
DetailsSER_THR_PHOSPHATASE Serine/threonine specific protein phosphatases signature. LRGNHE
ChainResidueDetails
ALEU121-GLU126

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000250|UniProtKB:P36873
ChainResidueDetails
AHIS125
BHIS125

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:30100357, ECO:0000269|PubMed:35830882, ECO:0000269|PubMed:35831509, ECO:0000269|PubMed:36175670, ECO:0007744|PDB:6CZO, ECO:0007744|PDB:7TVF, ECO:0007744|PDB:7TXH, ECO:0007744|PDB:7UPI
ChainResidueDetails
AASP64
BASN124
BHIS173
BHIS248
AHIS66
AASP92
AASN124
AHIS173
AHIS248
BASP64
BHIS66
BASP92

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER22
BSER22

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1aui
ChainResidueDetails
AASP95
AHIS125

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1aui
ChainResidueDetails
BASP95
BHIS125

237423

PDB entries from 2025-06-11

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