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3NLV

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-(2,2-Difluoro-2-(3-fluorophenyl)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
A3XA800
AHOH1023
AHOH1161
AHOH1164
ACYS415
AVAL416
ASER457
APHE584
ASER585
ATRP587
AGLU592
APHE704

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AARG596
AVAL677
ATRP678
AHEM750
AHOH1023
AHOH1062
AHOH1112
AHOH1131
AHOH1166
BTRP676
BPHE691
BHIS692
BGLN693
BGLU694

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP587
ASER657
AHOH1070

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 3XA A 800
ChainResidue
AMET336
ALEU337
APRO565
AVAL567
AGLY586
ATRP587
ATYR588
AGLU592
ATRP678
AHEM750
AHOH1137
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
B3XA800
BHOH1047
BHOH1235
BHOH1236

site_idAC7
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM750
BHOH1057
BHOH1085
BHOH1153
BHOH1232
BHOH1236

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP587
BVAL649
BHOH1171
BHOH1205

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 3XA B 800
ChainResidue
ATRP306
BMET336
BLEU337
BPHE584
BSER585
BGLY586
BTRP587
BTYR588
BGLU592
BTYR706
BHEM750
BHOH1236
BHOH1237

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
ATRP587
ATYR588
AGLU592
AVAL677
ATRP678
APHE691
ATYR706
BSER334
BGLN478
BTRP587
BTYR588
BGLU592
BVAL677
BTRP678
BPHE691
BTYR706
ASER334
AGLN478

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

218500

數據於2024-04-17公開中

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