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4PHK

The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids. The complex with (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid

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 2UB A 301
ChainResidue
AVAL127
AHIS131
ATRP168
ALYS172
AGLN175
APHE226

site_idAC2
Number of Residues6
Detailsbinding site for residue CA A 302
ChainResidue
AGLU119
AHOH433
AHOH444
AALA109
AASP112
AGLU114

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 303
ChainResidue
AASP152
AASP154
ATHR156
ALYS158
AGLU163
AHOH404

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 304
ChainResidue
AASP182
AASP184
ASER186
ATHR188
AGLU193
AHOH450

site_idAC5
Number of Residues6
Detailsbinding site for residue CA A 305
ChainResidue
AASP137
AASP225
AASP227
AASN228
AHOH451
AHOH447

site_idAC6
Number of Residues4
Detailsbinding site for residue 2UB B 301
ChainResidue
BVAL127
BHIS131
BGLN175
BHOH426

site_idAC7
Number of Residues6
Detailsbinding site for residue CA B 302
ChainResidue
BALA109
BASP112
BGLU114
BGLU119
BHOH441
BHOH435

site_idAC8
Number of Residues6
Detailsbinding site for residue CA B 303
ChainResidue
BASP152
BASP154
BTHR156
BLYS158
BGLU163
BHOH416

site_idAC9
Number of Residues6
Detailsbinding site for residue CA B 304
ChainResidue
BASP182
BASP184
BSER186
BTHR188
BGLU193
BHOH421

site_idAD1
Number of Residues5
Detailsbinding site for residue CA B 305
ChainResidue
BASP137
BASP225
BASP227
BASN228
BHOH450

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

238895

PDB entries from 2025-07-16

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