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4D36

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine

Functional Information from GO Data
ChainGOidnamespacecontents
A0004517molecular_functionnitric-oxide synthase activity
A0006809biological_processnitric oxide biosynthetic process
B0004517molecular_functionnitric-oxide synthase activity
B0006809biological_processnitric oxide biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
AGLU363
ATRP449
APHE475
ATYR477
AH4B600
AHLW800
AHOH2200
AHOH2201
AARG185
ACYS186
AGLY188
ASER228
APHE355
ASER356
ATRP358
AMET360

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH2022
AHOH2150
AHOH2152
AHOH2187
AHOH2201
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE HLW A 800
ChainResidue
AVAL106
ALEU107
AGLN249
APRO336
AVAL338
ATYR477
AHEM500
AGOL880

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AGLY188
ATRP358
AVAL420
ASER428

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 861
ChainResidue
AGLN249
AARG252
AASN368
AARG374
AHOH2102

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AARG367
AHIS373
AH4B600
AHLW800

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

site_idAC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BGLY188
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BPHE475
BTYR477
BH4B600
BHLW800
BHOH2149
BHOH2150

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
AHOH2193
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH2017
BHOH2115
BHOH2139

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE HLW B 800
ChainResidue
ATRP76
BLEU107
BGLN249
BPRO336
BVAL338
BHEM500
BGOL880

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428
BHOH2053
BHOH2151

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 861
ChainResidue
BARG252
BASN368
BARG374
BHOH2081
BHOH2082
BGLN249

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
AHOH2193
BVAL106
BARG367
BHIS373
BH4B600
BHLW800

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG185-TRP192

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P35228
ChainResidueDetails
ACYS96
ACYS101
BCYS96
BCYS101

site_idSWS_FT_FI2
Number of Residues20
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ASER104
ATYR477
BSER104
BGLN249
BTRP358
BTYR359
BGLU363
BASN368
BALA448
BTRP449
BPHE462
AGLN249
BTYR477
ATRP358
ATYR359
AGLU363
AASN368
AALA448
ATRP449
APHE462

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ACYS186
BCYS186

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine; by CDK5 => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ASER116
BSER116

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PDB entries from 2024-07-24

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