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1K2U

Structure of rat brain nNOS heme domain complexed with S-ethyl-N-[4-(trifluoromethyl)phenyl] isothiourea

Functional Information from GO Data
ChainGOidnamespacecontents
A0004517molecular_functionnitric-oxide synthase activity
A0006809biological_processnitric oxide biosynthetic process
A0020037molecular_functionheme binding
B0004517molecular_functionnitric-oxide synthase activity
B0006809biological_processnitric oxide biosynthetic process
B0020037molecular_functionheme binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 1860
ChainResidue
ATRP587
AVAL649
AHEM750
AHOH1919

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 2860
ChainResidue
BTRP587
BHOH2984
BHOH3017

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
BCYS326
BCYS331
ACYS326
ACYS331

site_idAC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
AARG414
ACYS415
ASER457
APHE584
ASER585
ATRP587
AGLU592
ATRP678
ATYR706
AH4B1760
ATFM1820
AACT1860
AHOH1861
AHOH1867

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B A 1760
ChainResidue
ASER334
AARG596
AVAL677
ATRP678
AHEM750
AHOH1861
AHOH1863
AHOH1923
AHOH1946
BTRP676
BPHE691
BHIS692
BGLN693

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TFM A 1820
ChainResidue
APRO565
AVAL567
APHE584
AGLY586
ATRP587
AGLU592
ATRP678
AHEM750
AHOH1873

site_idAC7
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BALA412
BARG414
BCYS415
BMET570
BPHE584
BSER585
BTRP587
BGLU592
BTRP678
BTYR706
BH4B2760
BTFM2820
BHOH2863
BHOH2878

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B B 2760
ChainResidue
ATRP676
APHE691
AHIS692
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM750
BHOH2870
BHOH2878
BHOH2949
BHOH3049

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TFM B 2820
ChainResidue
BPRO565
BVAL567
BPHE584
BGLY586
BTRP587
BGLU592
BTRP678
BHEM750

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG414-TRP421

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues18
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29475
ChainResidueDetails
ASER334
BSER334
BGLN478
BTRP587
BTYR588
BGLU592
BVAL677
BTRP678
BPHE691
BTYR706
AGLN478
ATRP587
ATYR588
AGLU592
AVAL677
ATRP678
APHE691
ATYR706

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29475
ChainResidueDetails
ACYS415
BCYS415

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 3nos
ChainResidueDetails
ACYS415
ATRP587
AGLU592
AARG418

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 3nos
ChainResidueDetails
BCYS415
BTRP587
BGLU592
BARG418

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PDB entries from 2024-07-24

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