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3N68

Structure of endothelial nitric oxide synthase heme domain N368D/V106M double mutant complexed with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-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
APHE475
ATYR477
AH4B600
AXFH800
AALA183
AARG185
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AMET106
AARG367
AALA448
ATRP449
AHEM500
AGOL880
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 850
ChainResidue
AARG252
AASP368
AARG374

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
AVAL420
ASER428

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AARG367
AHIS373
AH4B600
BTRP76

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE XFH A 800
ChainResidue
APRO336
AVAL338
AASN340
APHE355
AGLY357
ATRP358
ATYR359
AGLU363
ATYR477
AHEM500

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CAD A 950
ChainResidue
ATRP324
ACYS384
ALYS438
AARG440
AGLY441

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BPHE355
BSER356
BGLY357
BTRP358
BMET360
BGLU363
BPHE475
BTYR477
BH4B600
BXFH800

site_idBC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
AHIS463
BSER104
BMET106
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH1077
BHOH1078
BHOH1079

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
ATRP76
BMET106
BARG367
BHIS373
BH4B600

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE XFH B 800
ChainResidue
BLEU107
BVAL338
BASN340
BTRP358
BTYR359
BGLU363
BTYR477
BHEM500

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 Residues18
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29475
ChainResidueDetails
ATRP358
ATYR359
AGLU363
AALA448
ATRP449
APHE462
ATYR477
BSER104
BGLN249
BTRP358
BTYR359
BGLU363
BALA448
BTRP449
BPHE462
BTYR477
ASER104
AGLN249

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29475
ChainResidueDetails
ACYS186
BCYS186

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q9Z0J4
ChainResidueDetails
ATHR46
BTHR46

218500

PDB entries from 2024-04-17

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