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3N5X

Structure of neuronal nitric oxide synthase heme domain in complex with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-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
AXFK800
AXFK805
AHOH1009
AHOH1012
AHOH1087
AHOH1119
ACYS415
ASER457
APHE584
ASER585
ATRP587
AGLU592
AARG596
ATRP678

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE XFK A 800
ChainResidue
AMET336
ALEU337
AARG414
AGLN478
AVAL567
APHE584
ATRP587
AGLU592
AARG596
ATYR706
AHEM750
AHOH1059
AHOH1061
BTRP306

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE XFK A 805
ChainResidue
AMET336
AASP600
AVAL677
ATRP678
AVAL680
AHEM750
AZN901
ACL910
BTRP306
BASP309
BPHE691
BHIS692

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP587
AVAL649
AHOH1110
AHOH1127
AHOH1211

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 910
ChainResidue
AASP600
AXFK805
AZN901
BSER686
BHIS692

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 901
ChainResidue
AASP600
AXFK805
ACL910
BHIS692

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 719
ChainResidue
AHIS692
BASP600
BXFK805
BCL910

site_idAC9
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BCYS415
BSER457
BMET570
BPHE584
BSER585
BTRP587
BGLU592
BARG596
BTRP678
BXFK800
BXFK805
BHOH1307
BHOH1371
BHOH1413

site_idBC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE XFK B 800
ChainResidue
ATRP306
BARG414
BGLN478
BVAL567
BPHE584
BTRP587
BGLU592
BARG596
BTYR706
BHEM750
BHOH1341
BHOH1393

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE XFK B 805
ChainResidue
BHEM750
BCL910
BHOH1594
ATRP306
AASP309
APHE691
AHIS692
AZN719
BASP600
BVAL677
BTRP678
BVAL680

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP587
BVAL649
BHOH1357
BHOH1429
BHOH1435
BHOH1519

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 910
ChainResidue
ASER686
APHE691
AZN719
BARG596
BASP600
BXFK805

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 2024-08-21

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