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3JWX

Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3'R,4'R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride

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 Residues12
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
AJI5800
AHOH1166
AHOH1229
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449
AH4B600

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AJI5800
AGOL880
AHOH1006
AHOH1080
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465
BHOH1017

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AGLY188
ATRP358
AVAL420
ASER428
AHOH1171
AHOH1250

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AARG367
AHIS373
AH4B600
AJI5800
BHOH1017

site_idAC5
Number of Residues15
DetailsBINDING SITE FOR RESIDUE JI5 A 800
ChainResidue
AVAL106
AARG185
AGLN249
AVAL338
APHE355
ASER356
AGLY357
ATRP358
AGLU363
ATRP449
ATYR477
AHEM500
AH4B600
AGOL880
AHOH1046

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CAD A 950
ChainResidue
ATRP324
ACYS384
AGLN437
ALYS438
AGLY441
AHOH1290

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

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BH4B600
BJI5800
BHOH1129
BHOH1202
BHOH1242

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
APHE462
AHIS463
BSER104
BARG367
BALA448
BTRP449
BHEM500
BJI5800
BGOL880
BHOH1023
BHOH1026
BHOH1120

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428
BHOH1035
BHOH1038
BHOH1251

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
BVAL106
BARG367
BHIS373
BH4B600
BHOH1026

site_idBC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE JI5 B 800
ChainResidue
BVAL106
BLEU107
BGLN249
BPRO336
BSER356
BGLY357
BTRP358
BGLU363
BTRP449
BTYR477
BHEM500
BH4B600
BHOH1102
BHOH1103
BHOH1242
ATRP76

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CAD B 950
ChainResidue
BTYR83
BTRP324
BCYS384

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 2024-04-24

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