3DFR

CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE

「1DFR」から置き換えられました

GO（遺伝子オントロジー）由来の情報

鎖名	GO（遺伝子オントロジー）id	名前空間	内容
A	0004146	molecular_function	dihydrofolate reductase activity
A	0005829	cellular_component	cytosol
A	0006545	biological_process	glycine biosynthetic process
A	0006730	biological_process	one-carbon metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0031427	biological_process	response to methotrexate
A	0046452	biological_process	dihydrofolate metabolic process
A	0046654	biological_process	tetrahydrofolate biosynthetic process
A	0046655	biological_process	folic acid metabolic process
A	0046677	biological_process	response to antibiotic
A	0050661	molecular_function	NADP binding

PDBデータベースに由来する情報

site_id	AC1
残基数	34
詳細	BINDING SITE FOR RESIDUE NDP A 163

鎖名	残基
A	HOH326
A	HOH373
A	HOH401
A	HOH439
A	HOH579
A	TRP5
A	ALA6
A	ILE13
A	GLY14
A	LYS15
A	GLY17
A	HIS18
A	LEU19
A	GLY42
A	ARG43
A	ARG44
A	THR45
A	LEU62
A	THR63
A	HIS64
A	GLN65
A	HIS77
A	ALA97
A	GLY99
A	ALA100
A	GLN101
A	ILE102
A	MTX164
A	HOH208
A	HOH276
A	HOH279
A	HOH301
A	HOH302
A	HOH318

---

site_id	AC2
残基数	21
詳細	BINDING SITE FOR RESIDUE MTX A 164

鎖名	残基
A	LEU4
A	TRP5
A	LEU19
A	ASP26
A	LEU27
A	HIS28
A	PHE30
A	ARG31
A	SER48
A	PHE49
A	PRO50
A	ARG57
A	ALA97
A	THR116
A	NDP163
A	HOH322
A	HOH329
A	HOH331
A	HOH559
A	HOH606
A	HOH621

---

site_id	MAB
残基数	5
詳細	RESIDUES INTERACTING WITH THE P-AMINOBENZOYL OF THE METHOTREXATE INHIBITOR

鎖名	残基
A	LEU27
A	PHE30
A	PHE49
A	PRO50
A	LEU54

---

site_id	MGL
残基数	6
詳細	RESIDUES INTERACTING WITH THE GLUTAMATE OF THE METHOTREXATE INHIBITOR

鎖名	残基
A	LEU27
A	HIS28
A	PHE30
A	ARG31
A	LEU54
A	ARG57

---

site_id	MNM
残基数	2
詳細	RESIDUES INTERACTING WITH THE N(10) METHYL OF THE METHOTREXATE INHIBITOR

鎖名	残基
A	LEU19
A	SER48

---

site_id	MPT
残基数	14
詳細	RESIDUES INTERACTING WITH THE PTERIDINE of THE METHOTREXATE INHIBITOR

鎖名	残基
A	LEU4
A	TRP5
A	ALA6
A	LEU19
A	TRP21
A	ASP26
A	LEU27
A	PHE30
A	ALA97
A	THR116
A	NDP163
A	HOH201
A	HOH217
A	HOH253

---

site_id	NAR
残基数	9
詳細	RESIDUES INTERACTING WITH THE ADENINE MONONUCLEOTIDE RIBOSE OF THE NADPH COFACTOR

鎖名	残基
A	ARG43
A	ARG44
A	THR63
A	HIS64
A	GLN65
A	GLN101
A	ILE102
A	HOH401
A	GLY42

---

site_id	NDN
残基数	8
詳細	RESIDUES INTERACTING WITH THE ADENINE BASE OF THE NADPH COFACTOR

鎖名	残基
A	LEU62
A	THR63
A	HIS64
A	HIS77
A	GLN101
A	ILE102
A	HOH279
A	HOH318

---

site_id	NMR
残基数	7
詳細	RESIDUES INTERACTING WITH THE NICOTINAMIDE MONONUCLEOTIDE RIBOSE OF THE NADPH COFACTOR

鎖名	残基
A	ILE13
A	GLY14
A	HIS18
A	SER48
A	GLY99
A	HOH208
A	HOH439

---

site_id	NND
残基数	12
詳細	RESIDUES INTERACTING WITH THE NICOTINAMIDE BASE OF THE NADPH COFACTOR

鎖名	残基
A	TRP5
A	ALA6
A	ILE13
A	LEU19
A	TRP21
A	THR45
A	ALA97
A	GLY98
A	GLY99
A	PHE103
A	MTX164
A	HOH439

---

site_id	NPP
残基数	7
詳細	RESIDUES INTERACTING WITH THE PYROPHOSPHATE OF THE NADPH COFACTOR

鎖名	残基
A	ARG44
A	THR45
A	GLY99
A	GLN101
A	ILE102
A	THR126
A	HOH301

---

UniProtにおけるモチーフ・データベースPROSITEからの機能情報

site_id	PS00075
残基数	23
詳細	DHFR_1 Dihydrofolate reductase (DHFR) domain signature. LIGkdghLPWhlpd.DlhyFraqT

鎖名	残基	詳細
A	LEU12-THR34

---

SwissProt/UniProtに記載されている蛋白質分子機能情報

site_id	SWS_FT_FI1
残基数	5
詳細	BINDING: BINDING => ECO:0000305|PubMed:6815179

鎖名	残基	詳細
A	TRP5
A	LEU27
A	ALA32
A	THR58
A	ARG117

---

site_id	SWS_FT_FI2
残基数	6
詳細	BINDING: BINDING => ECO:0000269|PubMed:6815179

鎖名	残基	詳細
A	ALA6
A	GLY14
A	ARG43
A	THR63
A	ALA80
A	GLY98

---

site_id	SWS_FT_FI3
残基数	1
詳細	SITE: May be important for enzyme function

鎖名	残基	詳細
A	HIS22

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CSAにおける酵素触媒機能の情報

site_id	MCSA1
残基数	9
詳細	M-CSA 112

鎖名	残基	詳細
A	TRP5	steric role
A	PRO20	enhance reactivity
A	HIS22	activator, hydrogen bond donor
A	LEU27	hydrogen bond acceptor, modifies pKa
A	HIS28	steric locator
A	ARG31	steric locator
A	PRO55	steric locator
A	VAL95	steric role
A	ARG117	electrostatic stabiliser, hydrogen bond donor

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