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6ECP

The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0004488molecular_functionmethylenetetrahydrofolate dehydrogenase (NADP+) activity
B0003824molecular_functioncatalytic activity
B0004488molecular_functionmethylenetetrahydrofolate dehydrogenase (NADP+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues20
Detailsbinding site for residue NAP A 403
ChainResidue
ATHR148
ATHR216
AGLY217
AGLN218
ACYS236
AGLY237
AILE238
AGLY276
ATHR279
A21V401
A21V402
AGLY172
AHOH517
AARG173
ASER174
AVAL177
AHIS196
ASER197
ALEU202
AALA215

site_idAC2
Number of Residues22
Detailsbinding site for residue NAP B 401
ChainResidue
BTHR148
BGLY172
BARG173
BSER174
BVAL177
BHIS196
BSER197
BLEU202
BALA215
BTHR216
BGLY217
BGLN218
BMET221
BCYS236
BGLY237
BILE238
BTHR279
BHOH513
BHOH518
BHOH522
BHOH524
BHOH556

site_idAC3
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAC4
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAC5
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAC6
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAC7
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560
ATYR52

site_idAC8
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAC9
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD1
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD2
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD3
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD4
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD5
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD6
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD7
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD8
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAD9
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE1
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE2
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE3
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE4
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE5
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE6
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE7
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE8
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAE9
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF1
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF2
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF3
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF4
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF5
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF6
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF7
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF8
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAF9
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG1
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG2
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG3
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG4
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG5
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG6
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG7
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG8
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAG9
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH1
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH2
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH3
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH4
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH5
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH6
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH7
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH8
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAH9
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAI1
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAI2
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAI3
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

site_idAI4
Number of Residues14
Detailsbinding site for residues 21V A 402 and 21V A 403
ChainResidue
ATYR52
AVAL55
ALYS56
AGLN100
ALEU101
AILE238
APRO272
AGLY273
AGLY276
AVAL280
ANAP403
AHOH512
AHOH518
AHOH560

Functional Information from PROSITE/UniProt
site_idPS00766
Number of Residues26
DetailsTHF_DHG_CYH_1 Tetrahydrofolate dehydrogenase/cyclohydrolase signature 1. EsEVMkyItsLNeDstvhgFLVQLPL
ChainResidueDetails
AGLU78-LEU103

site_idPS00767
Number of Residues9
DetailsTHF_DHG_CYH_2 Tetrahydrofolate dehydrogenase/cyclohydrolase signature 2. PGGVGPMTV
ChainResidueDetails
APRO272-VAL280

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:10828945
ChainResidueDetails
ALYS56
BLYS56

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:10828945, ECO:0007744|PDB:1DIA, ECO:0007744|PDB:1DIB
ChainResidueDetails
ATYR52
AVAL99
APRO272
BTYR52
BVAL99
BPRO272

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:10828945, ECO:0000269|PubMed:9519408, ECO:0007744|PDB:1A4I, ECO:0007744|PDB:1DIA, ECO:0007744|PDB:1DIB, ECO:0007744|PDB:1DIG
ChainResidueDetails
AGLY172
ASER197
BGLY172
BSER197

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N-acetylmethionine => ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895, ECO:0007744|PubMed:22814378
ChainResidueDetails
AMET1
BMET1

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 389
ChainResidueDetails
ALYS56activator
AGLN100activator
AASP125electrostatic stabiliser

site_idMCSA2
Number of Residues3
DetailsM-CSA 458
ChainResidueDetails
ASER49activator
ALYS56proton shuttle (general acid/base)
AGLN100activator

site_idMCSA3
Number of Residues3
DetailsM-CSA 389
ChainResidueDetails
BLYS56activator
BGLN100activator
BASP125electrostatic stabiliser

site_idMCSA4
Number of Residues3
DetailsM-CSA 458
ChainResidueDetails
BSER49activator
BLYS56proton shuttle (general acid/base)
BGLN100activator

227111

PDB entries from 2024-11-06

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