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4UPQ

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide

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 Residues16
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
ATRP449
ATYR477
AH4B600
AI5U800
AHOH2196
AHOH2197
AHOH2198
AARG185
ACYS186
AVAL187
ASER228
APHE355
ASER356
ATRP358
AGLU363

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AVAL106
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH2023
AHOH2142
AHOH2179
AHOH2198
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE I5U A 800
ChainResidue
ALEU107
APRO336
AVAL338
APHE355
ASER356
AGLY357
ATRP358
AGLU363
ATRP449
ATYR477
AHEM500
AGOL880
AHOH2198
BLYS74
BTRP76

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AGLY188
ATRP358
AVAL420
ASER428
AHOH2061
AHOH2199

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 861
ChainResidue
AGLN249
AARG252
AASN368
AARG374
AHOH2101

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AVAL106
AARG367
AHIS373
ATRP449
AH4B600
AI5U800
AHOH2142

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BTYR477
BH4B600
BI5U800
BHOH2130
BHOH2168
BHOH2169
BHOH2170

site_idAC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
AHIS463
AGLN464
AGLU465
AHOH2188
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH2018
BHOH2156
BHOH2169

site_idAC9
Number of Residues15
DetailsBINDING SITE FOR RESIDUE I5U B 800
ChainResidue
BPRO336
BVAL338
BPHE355
BSER356
BGLY357
BTRP358
BGLU363
BTYR477
BHEM500
BACT861
BGOL880
BHOH2169
ALYS74
ATRP76
BLEU107

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428
BHOH2049
BHOH2051
BHOH2144
BHOH2171

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 861
ChainResidue
BARG252
BASN368
BARG374
BI5U800
BHOH2095

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
AHOH2188
BVAL106
BARG367
BHIS373
BTRP449
BH4B600
BI5U800

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 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 site: {"evidences":[{"source":"UniProtKB","id":"P35228","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues20
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"P29474","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsBinding site: {"description":"axial binding residue","evidences":[{"source":"UniProtKB","id":"P29474","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

239803

PDB entries from 2025-08-06

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