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4IMX

Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile

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 Residues14
DetailsBINDING SITE FOR RESIDUE HEM A 501
ChainResidue
ATRP180
ATYR477
AH4B502
A1EV503
AHOH610
AHOH617
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449
APHE475

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B A 502
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM501
AGOL506
AHOH610
AHOH677
AHOH698
BTRP447
BPHE462
BGLN464
BGLU465
BHOH710

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 1EV A 503
ChainResidue
ALEU107
ASER248
AGLN249
AARG252
AVAL338
APHE355
AGLY357
ATRP358
AGLU363
AHEM501
AACT505
AHOH607
AHOH610

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 504
ChainResidue
ATRP358
AVAL420
ASER428

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 505
ChainResidue
AARG252
AASN368
AARG374
A1EV503
AHOH680

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 506
ChainResidue
AVAL106
AARG367
AHIS373
AH4B502
BTRP76
BHOH710

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CAD A 507
ChainResidue
ACYS384

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 508
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

site_idAC9
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 501
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BMET360
BGLU363
BTYR477
BH4B502
B1EV503
BHOH603
BHOH661
BHOH675
BHOH678

site_idBC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 502
ChainResidue
ATRP447
APHE462
AHOH636
BSER104
BARG367
BALA448
BTRP449
BHEM501
BGOL506
BHOH652
BHOH678
BHOH705

site_idBC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 1EV B 503
ChainResidue
BACT505
BHOH696
ATRP76
BSER248
BGLN249
BARG252
BGLY357
BTRP358
BTYR359
BGLU363
BTRP449
BTYR477
BHEM501

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 504
ChainResidue
BTRP358
BVAL420
BSER428
BHOH656

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 505
ChainResidue
BGLN249
BARG252
BASN368
BARG374
B1EV503
BHOH624

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 506
ChainResidue
BVAL106
BARG367
BHIS373
BH4B502

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CAD B 507
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
ATHR97
ALEU102
BTHR97
BLEU102

site_idSWS_FT_FI2
Number of Residues20
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ALEU105
AGLN478
BLEU105
BLEU250
BTYR359
BMET360
BILE364
BLEU369
BTRP449
BILE450
BHIS463
ALEU250
BGLN478
ATYR359
AMET360
AILE364
ALEU369
ATRP449
AILE450
AHIS463

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
AVAL187
BVAL187

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine; by CDK5 => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
APRO117
BPRO117

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PDB entries from 2024-07-24

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