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4PHN

The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids

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
AALA107
AASP110
AGLU112
AGLU117
AHOH418
AHOH491

site_idAC2
Number of Residues6
Detailsbinding site for residue CA A 302
ChainResidue
ALYS156
AGLU161
AHOH440
AASP150
AASP152
ATHR154

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 303
ChainResidue
AASP180
AASP182
ASER184
ATHR186
AGLU191
AHOH498

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 304
ChainResidue
AASP135
AASP223
AASP225
AASN226
AHOH488
BHOH417

site_idAC5
Number of Residues6
Detailsbinding site for residue CA B 301
ChainResidue
BALA107
BASP110
BGLU112
BGLU117
BHOH414
BHOH469

site_idAC6
Number of Residues6
Detailsbinding site for residue CA B 302
ChainResidue
BASP150
BASP152
BTHR154
BLYS156
BGLU161
BHOH409

site_idAC7
Number of Residues6
Detailsbinding site for residue CA B 303
ChainResidue
BASP180
BASP182
BSER184
BTHR186
BGLU191
BHOH505

site_idAC8
Number of Residues6
Detailsbinding site for residue CA B 304
ChainResidue
BASP135
BASP223
BASP225
BASN226
BHOH457
BHOH499

Functional Information from PROSITE/UniProt
site_idPS00018
Number of Residues13
DetailsEF_HAND_1 EF-hand calcium-binding domain. DSDTTGKLGfeEF
ChainResidueDetails
AASP150-PHE162
AASP180-LEU192

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues68
DetailsDomain: {"description":"EF-hand 1; atypical","evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues66
DetailsDomain: {"description":"EF-hand 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues70
DetailsDomain: {"description":"EF-hand 3","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues56
DetailsDomain: {"description":"EF-hand 4","evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues68
DetailsDomain: {"description":"EF-hand 5","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"Q64537","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI8
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_FI9
Number of Residues2
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P04632","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

247536

PDB entries from 2026-01-14

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