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3N5S

Structure of endothelial nitric oxide synthase heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-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 Residues13
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
AH4B600
AXFK800
AHOH1057
AHOH1066
AARG185
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
APHE475

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
AVAL420
ASER428
AHOH1090
AHOH1157

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AARG367
AHIS373
AH4B600
AHOH1057
AHOH1170
BTRP76

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CAD A 950
ChainResidue
ATRP324
ACYS384
AGLN437
ALYS438
AARG440
AGLY441
AHOH1096

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH1057
AHOH1068
AHOH1078
AHOH1170
BTRP447
BPHE462
BHIS463
BGLN464

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE XFK A 800
ChainResidue
AARG185
AGLN249
AVAL338
APHE355
AGLY357
ATRP358
ATYR359
AGLU363
ATYR477
AHEM500
AHOH1007
BTRP76

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

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BH4B600
BXFK800
BHOH1199
BHOH1269
BHOH1277

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
AHOH1052
BVAL106
BARG367
BHIS373
BH4B600

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CAD B 950
ChainResidue
BTYR83
BTRP324
BCYS384

site_idBC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
AHIS463
AGLU465
AHOH1052
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH1248
BHOH1269
BHOH1334

site_idBC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE XFK B 800
ChainResidue
ATRP76
BVAL106
BLEU107
BARG185
BGLN249
BPRO336
BVAL338
BPHE355
BTRP358
BTYR359
BGLU363
BTYR477
BHEM500

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 2024-09-25

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