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6LKE

in meso full-length rat KMO in complex with an inhibitor identified via DNA-encoded chemical library screening

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0004502molecular_functionkynurenine 3-monooxygenase activity
A0005615cellular_componentextracellular space
A0005739cellular_componentmitochondrion
A0005741cellular_componentmitochondrial outer membrane
A0006569biological_processtryptophan catabolic process
A0009435biological_processNAD biosynthetic process
A0009651biological_processresponse to salt stress
A0014049biological_processpositive regulation of glutamate secretion
A0016174molecular_functionNAD(P)H oxidase H2O2-forming activity
A0019363biological_processpyridine nucleotide biosynthetic process
A0019674biological_processNAD metabolic process
A0019805biological_processquinolinate biosynthetic process
A0031966cellular_componentmitochondrial membrane
A0032496biological_processresponse to lipopolysaccharide
A0034276biological_processkynurenic acid biosynthetic process
A0034354biological_process'de novo' NAD biosynthetic process from tryptophan
A0043420biological_processanthranilate metabolic process
A0050660molecular_functionflavin adenine dinucleotide binding
A0070189biological_processkynurenine metabolic process
A0071222biological_processcellular response to lipopolysaccharide
A0071347biological_processcellular response to interleukin-1
A0071949molecular_functionFAD binding
A0097052biological_processL-kynurenine metabolic process
A1903296biological_processpositive regulation of glutamate secretion, neurotransmission
B0004497molecular_functionmonooxygenase activity
B0004502molecular_functionkynurenine 3-monooxygenase activity
B0005615cellular_componentextracellular space
B0005739cellular_componentmitochondrion
B0005741cellular_componentmitochondrial outer membrane
B0006569biological_processtryptophan catabolic process
B0009435biological_processNAD biosynthetic process
B0009651biological_processresponse to salt stress
B0014049biological_processpositive regulation of glutamate secretion
B0016174molecular_functionNAD(P)H oxidase H2O2-forming activity
B0019363biological_processpyridine nucleotide biosynthetic process
B0019674biological_processNAD metabolic process
B0019805biological_processquinolinate biosynthetic process
B0031966cellular_componentmitochondrial membrane
B0032496biological_processresponse to lipopolysaccharide
B0034276biological_processkynurenic acid biosynthetic process
B0034354biological_process'de novo' NAD biosynthetic process from tryptophan
B0043420biological_processanthranilate metabolic process
B0050660molecular_functionflavin adenine dinucleotide binding
B0070189biological_processkynurenine metabolic process
B0071222biological_processcellular response to lipopolysaccharide
B0071347biological_processcellular response to interleukin-1
B0071949molecular_functionFAD binding
B0097052biological_processL-kynurenine metabolic process
B1903296biological_processpositive regulation of glutamate secretion, neurotransmission
Functional Information from PDB Data
site_idAC1
Number of Residues28
Detailsbinding site for residue FAD A 1001
ChainResidue
AILE14
ALEU56
AALA57
AARG111
AHIS134
ALYS135
ALEU136
ACYS166
AASP167
AGLY168
ATHR172
AGLY15
AASP304
APRO311
AGLY314
AGLN315
AGLY316
AMET317
AASN318
ACL1003
AEGU1004
AGLY17
ALEU18
AVAL19
ATYR37
AGLU38
AALA39
AARG40

site_idAC2
Number of Residues10
Detailsbinding site for residue SO4 A 1002
ChainResidue
AARG85
APRO98
ATYR99
AGLY100
AARG380
ALYS384
APRO396
ATYR398
ATHR399
APHE403

site_idAC3
Number of Residues3
Detailsbinding site for residue CL A 1003
ChainResidue
APRO311
AGLY316
AFAD1001

site_idAC4
Number of Residues10
Detailsbinding site for residue EGU A 1004
ChainResidue
AARG85
ATYR99
AILE215
AMET222
AILE224
ATHR236
APRO311
APHE312
APHE313
AFAD1001

site_idAC5
Number of Residues25
Detailsbinding site for residue FAD B 1001
ChainResidue
BGLY15
BLEU18
BVAL19
BTYR37
BGLU38
BALA39
BARG40
BSER53
BALA57
BARG111
BHIS134
BLYS135
BLEU136
BCYS166
BASP167
BTHR172
BASP304
BPRO311
BGLY314
BGLN315
BGLY316
BMET317
BASN318
BCL1003
BEGU1004

site_idAC6
Number of Residues7
Detailsbinding site for residue SO4 B 1002
ChainResidue
BARG85
BGLY100
BARG380
BLYS384
BPRO396
BTYR398
BTHR399

site_idAC7
Number of Residues3
Detailsbinding site for residue CL B 1003
ChainResidue
BPRO311
BGLY316
BFAD1001

site_idAC8
Number of Residues14
Detailsbinding site for residue EGU B 1004
ChainResidue
BFAD1001
BARG85
BTYR99
BILE106
BLEU213
BILE215
BMET222
BILE224
BTHR236
BPRO311
BPHE312
BPHE313
BGLY314
BASN363

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues78
DetailsTRANSMEM: Helical => ECO:0000255|HAMAP-Rule:MF_03018
ChainResidueDetails
APHE385-THR404
AGLY425-LEU445
BPHE385-THR404
BGLY425-LEU445

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:O15229
ChainResidueDetails
AVAL19
BTYR37
BALA57
BARG111
BLEU136
BTHR172
BASP304
BMET317
ATYR37
AALA57
AARG111
ALEU136
ATHR172
AASP304
AMET317
BVAL19

site_idSWS_FT_FI3
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q84HF5
ChainResidueDetails
AARG85
ATYR99
AASN363
ATYR398
BARG85
BTYR99
BASN363
BTYR398

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PDB entries from 2024-07-24

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