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3NLW

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-(2,2-Difluoro-2-(piperidin-2-yl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-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 Residues15
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
ATYR706
AH4B760
A3XF800
AHOH1043
AHOH1068
AHOH1077
ACYS415
ASER457
APHE584
ASER585
ATRP587
AGLU592
ATRP678
APHE704

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AARG596
AVAL677
ATRP678
AHEM750
AHOH1001
AHOH1053
AHOH1077
AHOH1120
AHOH1135
BTRP676
BPHE691
BHIS692
BGLN693
BGLU694

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP587
AVAL649

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 3XF A 800
ChainResidue
AGLN478
APRO565
ATRP587
ATYR588
AGLU592
AHEM750
AHOH1003
BTRP306

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

site_idAC6
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BCYS415
BSER457
BPHE584
BSER585
BTRP587
BGLU592
BTRP678
BPHE704
BTYR706
BH4B760
B3XF800
BHOH1045
BHOH1074
BHOH1079

site_idAC7
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM750
BHOH1045
BHOH1068
BHOH1082
BHOH1091
BHOH1166

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP587
BVAL649
BHOH1112
BHOH1124
BHOH1128
BHOH1132

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 3XF B 800
ChainResidue
ATRP306
BMET336
BLEU337
BGLN478
BPHE584
BGLY586
BTRP587
BTYR588
BGLU592
BTYR706
BHEM750
BHOH1001
BHOH1045

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

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PDB entries from 2024-11-20

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