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4WQ3

Human calpain PEF(S) with (2Z,2Z')-2,2'-disulfanediylbis(3-(6-bromoindol-3-yl)acrylic 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 Residues6
Detailsbinding site for residue CA A 301
ChainResidue
AALA109
AASP112
AGLU114
AGLU119
AHOH474
AHOH433

site_idAC2
Number of Residues6
Detailsbinding site for residue CA A 302
ChainResidue
ALYS158
AGLU163
AHOH416
AASP152
AASP154
ATHR156

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 303
ChainResidue
AASP182
AASP184
ASER186
ATHR188
AGLU193
AHOH494

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 304
ChainResidue
AASP137
AASP225
AASP227
AASN228
AHOH516
AHOH452

site_idAC5
Number of Residues6
Detailsbinding site for residue 3SU A 305
ChainResidue
ALEU104
AVAL127
AARG130
AHIS131
ATRP168
A3SU306

site_idAC6
Number of Residues9
Detailsbinding site for residue 3SU A 306
ChainResidue
ALEU124
AVAL127
AHIS131
ALEU134
ATRP168
AILE171
ALYS172
AGLN175
A3SU305

site_idAC7
Number of Residues6
Detailsbinding site for residue CA B 301
ChainResidue
BALA109
BASP112
BGLU114
BGLU119
BHOH421
BHOH509

site_idAC8
Number of Residues6
Detailsbinding site for residue CA B 302
ChainResidue
BASP152
BASP154
BTHR156
BLYS158
BGLU163
BHOH411

site_idAC9
Number of Residues6
Detailsbinding site for residue CA B 303
ChainResidue
BASP182
BASP184
BSER186
BTHR188
BGLU193
BHOH469

site_idAD1
Number of Residues6
Detailsbinding site for residue CA B 304
ChainResidue
BASP137
BASP225
BASP227
BASN228
BHOH502
BHOH518

site_idAD2
Number of Residues10
Detailsbinding site for residue 3SU B 305
ChainResidue
BGLU97
BGLN100
BVAL127
BARG130
BHIS131
BTRP168
BLYS172
B3SU306
BHOH461
BHOH423

site_idAD3
Number of Residues10
Detailsbinding site for residue 3SU B 306
ChainResidue
BLEU124
BVAL127
BVAL128
BHIS131
BLYS172
BGLN175
BPHE226
B3SU305
BHOH444
BHOH454

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

251174

PDB entries from 2026-03-25

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