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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 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 2024-07-10

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