Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6ECP

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004488	molecular_function	methylenetetrahydrofolate dehydrogenase (NADP+) activity
B	0003824	molecular_function	catalytic activity
B	0004488	molecular_function	methylenetetrahydrofolate dehydrogenase (NADP+) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	binding site for residue NAP A 403

Chain	Residue
A	THR148
A	THR216
A	GLY217
A	GLN218
A	CYS236
A	GLY237
A	ILE238
A	GLY276
A	THR279
A	21V401
A	21V402
A	GLY172
A	HOH517
A	ARG173
A	SER174
A	VAL177
A	HIS196
A	SER197
A	LEU202
A	ALA215

site_id	AC2
Number of Residues	22
Details	binding site for residue NAP B 401

Chain	Residue
B	THR148
B	GLY172
B	ARG173
B	SER174
B	VAL177
B	HIS196
B	SER197
B	LEU202
B	ALA215
B	THR216
B	GLY217
B	GLN218
B	MET221
B	CYS236
B	GLY237
B	ILE238
B	THR279
B	HOH513
B	HOH518
B	HOH522
B	HOH524
B	HOH556

site_id	AC3
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AC4
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AC5
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AC6
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AC7
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560
A	TYR52

site_id	AC8
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AC9
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD1
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD2
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD3
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD4
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD5
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD6
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD7
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD8
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AD9
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE1
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE2
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE3
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE4
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE5
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE6
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE7
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE8
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AE9
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF1
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF2
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF3
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF4
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF5
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF6
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF7
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF8
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AF9
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG1
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG2
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG3
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG4
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG5
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG6
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG7
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG8
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AG9
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH1
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH2
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH3
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH4
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH5
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH6
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH7
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH8
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AH9
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AI1
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AI2
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AI3
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

site_id	AI4
Number of Residues	14
Details	binding site for residues 21V A 402 and 21V A 403

Chain	Residue
A	TYR52
A	VAL55
A	LYS56
A	GLN100
A	LEU101
A	ILE238
A	PRO272
A	GLY273
A	GLY276
A	VAL280
A	NAP403
A	HOH512
A	HOH518
A	HOH560

Functional Information from PROSITE/UniProt

site_id	PS00766
Number of Residues	26
Details	THF_DHG_CYH_1 Tetrahydrofolate dehydrogenase/cyclohydrolase signature 1. EsEVMkyItsLNeDstvhgFLVQLPL

Chain	Residue	Details
A	GLU78-LEU103

site_id	PS00767
Number of Residues	9
Details	THF_DHG_CYH_2 Tetrahydrofolate dehydrogenase/cyclohydrolase signature 2. PGGVGPMTV

Chain	Residue	Details
A	PRO272-VAL280

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"10828945","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10828945","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DIA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DIB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10828945","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9519408","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A4I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DIA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DIB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DIG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	289
Details	Region: {"description":"Methylenetetrahydrofolate dehydrogenase and methenyltetrahydrofolate cyclohydrolase (D/C) domain","evidences":[{"source":"PubMed","id":"1881876","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 389

Chain	Residue	Details
A	LYS56	activator
A	GLN100	activator
A	ASP125	electrostatic stabiliser

site_id	MCSA2
Number of Residues	3
Details	M-CSA 458

Chain	Residue	Details
A	SER49	activator
A	LYS56	proton shuttle (general acid/base)
A	GLN100	activator

site_id	MCSA3
Number of Residues	3
Details	M-CSA 389

Chain	Residue	Details
B	LYS56	activator
B	GLN100	activator
B	ASP125	electrostatic stabiliser

site_id	MCSA4
Number of Residues	3
Details	M-CSA 458

Chain	Residue	Details
B	SER49	activator
B	LYS56	proton shuttle (general acid/base)
B	GLN100	activator

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)