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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 Residues12
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q64537
ChainResidueDetails
AALA109
BGLU119
BASP137
BASP225
AASP112
AGLU114
AGLU119
AASP137
AASP225
BALA109
BASP112
BGLU114

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00448
ChainResidueDetails
AASP152
BASP182
BASP184
BGLU193
AASP154
AGLU163
AASP182
AASP184
AGLU193
BASP152
BASP154
BGLU163

site_idSWS_FT_FI3
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q64537, ECO:0000255|PROSITE-ProRule:PRU00448
ChainResidueDetails
ATHR156
ALYS158
ASER186
ATHR188
BTHR156
BLYS158
BSER186
BTHR188

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS179
BLYS179

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PDB entries from 2024-07-24

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