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4D33

Structure of bovine endothelial nitric oxide synthase heme domain in complex with (N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine

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 Residues20
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
ATRP358
AMET360
AGLU363
ATRP449
APHE475
ATYR477
AH4B600
A6J0800
AHOH2168
AHOH2169
AARG185
AHOH2170
ACYS186
AVAL187
AGLY188
ASER228
APHE355
ASER356
AGLY357

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH2022
AHOH2129
AHOH2153
AHOH2170
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 6J0 A 800
ChainResidue
ALEU107
AGLN249
APRO336
AVAL338
AGLY357
ATYR477
AHEM500
AMTL870
AHOH2170
BTRP76

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

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE MTL A 870
ChainResidue
ASER248
AARG252
AALA268
AASN269
AGLU271
AILE272
AASN340
AASP480
A6J0800
AHOH2078
AHOH2080
AHOH2095

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AVAL106
AARG367
AHIS373
ATRP449
AH4B600
AHOH2129
BTRP76

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE BME A 960
ChainResidue
ATHR85
ATRP324
ALEU328
ACYS384
AARG440
AGLY441
AHOH2171

site_idAC8
Number of Residues20
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BVAL187
BGLY188
BSER228
BPHE355
BSER356
BGLY357
BTRP358
BMET360
BGLU363
BTRP449
BPHE475
BTYR477
BH4B600
B6J0800
BHOH2114
BHOH2115
BHOH2116

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH2011
BHOH2108
ATRP447
APHE462
AGLU465
AHOH2161

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 6J0 B 800
ChainResidue
ATRP76
BLEU107
BGLN249
BPRO336
BALA337
BVAL338
BTYR477
BHEM500
BMTL870

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428
BHOH2117

site_idBC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE MTL B 870
ChainResidue
BSER248
BARG252
BALA268
BASN269
BGLU271
BILE272
BASN340
BASP480
B6J0800
BHOH2055
BHOH2069

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
ATRP76
AHOH2161
BVAL106
BARG367
BHIS373
BTRP449
BH4B600

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 900
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

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 2024-05-01

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