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4WQ2

Human calpain PEF(S) with (Z)-3-(6-bromondol-3-yl)-2-mercaptoacrylic acid bound

Functional Information from GO Data
ChainGOidnamespacecontents
A0005509molecular_functioncalcium ion binding
B0005509molecular_functioncalcium ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue 3SU A 301
ChainResidue
AVAL127
AVAL128
AHIS131
AGLN175

site_idAC2
Number of Residues6
Detailsbinding site for residue CA A 302
ChainResidue
AHOH423
AALA109
AASP112
AGLU114
AGLU119
AHOH479

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 303
ChainResidue
AASP152
AASP154
ATHR156
ALYS158
AGLU163
AHOH442

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 304
ChainResidue
AASP182
AASP184
ASER186
ATHR188
AGLU193
AHOH480

site_idAC5
Number of Residues6
Detailsbinding site for residue CA A 305
ChainResidue
AASP137
AASP225
AASP227
AASN228
AHOH465
AHOH481

site_idAC6
Number of Residues4
Detailsbinding site for residue EDO A 306
ChainResidue
AGLU97
APHE101
ATRP168
AASN169

site_idAC7
Number of Residues6
Detailsbinding site for residue EDO A 307
ChainResidue
AARG145
AALA149
AGLY157
ATYR267
BARG215
BARG216

site_idAC8
Number of Residues4
Detailsbinding site for residue 3SU B 301
ChainResidue
BVAL127
BVAL128
BGLN175
BLYS179

site_idAC9
Number of Residues6
Detailsbinding site for residue CA B 302
ChainResidue
BALA109
BASP112
BGLU114
BGLU119
BHOH424
BHOH439

site_idAD1
Number of Residues6
Detailsbinding site for residue CA B 303
ChainResidue
BASP152
BASP154
BTHR156
BLYS158
BGLU163
BHOH419

site_idAD2
Number of Residues6
Detailsbinding site for residue CA B 304
ChainResidue
BASP182
BASP184
BSER186
BTHR188
BGLU193
BHOH445

site_idAD3
Number of Residues6
Detailsbinding site for residue CA B 305
ChainResidue
BASP137
BASP225
BASP227
BASN228
BHOH450
BHOH453

site_idAD4
Number of Residues4
Detailsbinding site for residue EDO B 306
ChainResidue
BGLN107
BLEU108
BGLU119
BHOH415

site_idAD5
Number of Residues4
Detailsbinding site for residue EDO B 307
ChainResidue
BALA149
BVAL150
BLEU264
BTYR267

Functional Information from PROSITE/UniProt
site_idPS00018
Number of Residues13
DetailsEF_HAND_1 EF-hand calcium-binding domain. DSDTTGKLGfeEF
ChainResidueDetails
AASP152-PHE164
AASP182-LEU194

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues66
DetailsDomain: {"description":"EF-hand 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues70
DetailsDomain: {"description":"EF-hand 3","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues56
DetailsDomain: {"description":"EF-hand 4","evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues68
DetailsDomain: {"description":"EF-hand 5","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"Q64537","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"Q64537","evidenceCode":"ECO:0000250"},{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI8
Number of Residues2
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

246031

PDB entries from 2025-12-10

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