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5ADG

Structure of human nNOS R354A G357D mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl)quinolin-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 Residues15
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP414
ATYR711
AH4B760
AXEB800
AHOH2369
AHOH2370
AHOH2371
AARG419
ACYS420
APHE589
ASER590
ATRP592
AGLU597
ATRP683
APHE709

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER339
AMET341
AARG601
AVAL682
ATRP683
AHEM750
AHOH2030
AHOH2302
AHOH2351
AHOH2371
AHOH2372
BTRP681
BPHE696
BHIS697
BGLN698
BGLU699

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE XEB A 800
ChainResidue
APRO570
AVAL572
AASN574
ATRP592
ATYR593
AGLU597
ATYR711
AHEM750

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AALA679
AASP680
ATRP681
AMET700
AASN702
AHOH2027
BCYS336
BMET337
BGLY338
BSER339

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS331
ACYS336
BCYS331
BCYS336

site_idAC6
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP414
BARG419
BCYS420
BSER462
BPHE589
BSER590
BTRP592
BGLU597
BTRP683
BPHE709
BTYR711
BH4B760
BXEB800
BHOH2273
BHOH2274

site_idAC7
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP681
APHE696
AHIS697
AGLN698
AGLU699
AHOH2356
BSER339
BARG601
BVAL682
BTRP683
BHEM750
BHOH2018
BHOH2224
BHOH2262
BHOH2274

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE XEB B 800
ChainResidue
BPRO570
BVAL572
BASN574
BPHE589
BTRP592
BTYR593
BGLU597
BHEM750
BHOH2274

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE XEB B 801
ChainResidue
BASP394
BPHE360
BLYS364
BMET383
BLEU386
BGLU387
BASN390
BILE393

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG419-TRP426

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues18
DetailsBINDING: BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
ChainResidueDetails
ATRP592
ATYR593
AGLU597
AVAL682
ATRP683
APHE696
ATYR711
BSER339
BGLN483
BTRP592
BTYR593
BGLU597
BVAL682
BTRP683
BPHE696
BTYR711
ASER339
AGLN483

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
ChainResidueDetails
ACYS420
BCYS420

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PDB entries from 2024-05-15

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