5JWC

Structure of NDH2 from plasmodium falciparum in complex with RYL-552

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003954	molecular_function	NADH dehydrogenase activity
A	0003960	molecular_function	NADPH:quinone reductase activity
A	0005739	cellular_component	mitochondrion
A	0006116	biological_process	NADH oxidation
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
A	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
H	0000166	molecular_function	nucleotide binding
H	0003954	molecular_function	NADH dehydrogenase activity
H	0003960	molecular_function	NADPH:quinone reductase activity
H	0005739	cellular_component	mitochondrion
H	0006116	biological_process	NADH oxidation
H	0016491	molecular_function	oxidoreductase activity
H	0046872	molecular_function	metal ion binding
H	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	33
Details	binding site for residue FAD A 601

Chain	Residue
A	GLY47
A	THR78
A	PRO79
A	CYS117
A	ALA147
A	VAL148
A	GLY149
A	VAL167
A	THR211
A	GLY353
A	ASP354
A	SER48
A	PRO434
A	THR435
A	ALA436
A	GLN437
A	ALA439
A	MG602
A	MG603
A	MG604
A	MG605
A	HOH724
A	GLY49
A	HOH810
A	HOH828
A	HOH840
A	HOH855
A	TRP50
A	GLY51
A	ILE69
A	SER70
A	PRO71
A	ARG72

---

site_id	AC2
Number of Residues	8
Details	binding site for residue MG A 602

Chain	Residue
A	ALA147
A	VAL148
A	GLY149
A	ILE352
A	GLY353
A	ASP354
A	CYS355
A	FAD601

---

site_id	AC3
Number of Residues	5
Details	binding site for residue MG A 603

Chain	Residue
A	GLY49
A	GLY51
A	GLY52
A	ALA147
A	FAD601

---

site_id	AC4
Number of Residues	5
Details	binding site for residue MG A 604

Chain	Residue
A	GLY49
A	ARG72
A	THR76
A	FAD601
A	HOH810

---

site_id	AC5
Number of Residues	5
Details	binding site for residue MG A 605

Chain	Residue
A	GLY149
A	ALA150
A	LYS168
A	FAD601
A	HOH704

---

site_id	AC6
Number of Residues	1
Details	binding site for residue TRT A 606

Chain	Residue
A	ARG514

---

site_id	AC7
Number of Residues	4
Details	binding site for residue TRT A 607

Chain	Residue
A	TYR527
H	TRP511
H	PHE515
H	PHE518

---

site_id	AC8
Number of Residues	12
Details	binding site for residue TRT A 608

Chain	Residue
A	GLN437
A	LYS440
A	LYS470
A	GLY471
A	VAL502
A	GLN506
A	LEU507
A	HOH726
A	HOH738
A	HOH828
A	HOH859
A	HOH904

---

site_id	AC9
Number of Residues	18
Details	binding site for residue 4W0 A 609

Chain	Residue
A	TYR74
A	VAL91
A	ASN92
A	ASP171
A	LEU174
A	HOH776
A	HOH797
A	HOH887
H	LEU84
H	GLY87
H	LEU89
H	SER90
H	LEU174
H	ARG177
H	PRO530
H	ILE532
H	LYS533
H	HOH899

---

site_id	AD1
Number of Residues	17
Details	binding site for residue 4W0 A 610

Chain	Residue
A	HOH780
A	HOH806
A	HOH881
H	TYR74
H	VAL91
H	ASN92
H	ASP171
H	LEU174
H	HOH785
A	LEU84
A	GLY87
A	LEU89
A	LEU174
A	ARG177
A	PRO530
A	ILE532
A	LYS533

---

site_id	AD2
Number of Residues	11
Details	binding site for residue 4W0 A 611

Chain	Residue
A	GLU218
A	ASN224
A	LYS225
A	TYR475
A	ASN478
A	HIS479
A	SER497
A	TRP500
A	LYS501
A	ARG529
A	HOH744

---

site_id	AD3
Number of Residues	35
Details	binding site for residue FAD H 601

Chain	Residue
H	GLY47
H	SER48
H	GLY49
H	TRP50
H	GLY51
H	ILE69
H	SER70
H	PRO71
H	ARG72
H	THR78
H	PRO79
H	CYS117
H	ALA147
H	VAL148
H	GLY149
H	VAL167
H	THR211
H	LEU316
H	GLY353
H	ASP354
H	PRO434
H	THR435
H	ALA436
H	GLN437
H	ALA439
H	MG602
H	MG603
H	MG604
H	MG605
H	HOH736
H	HOH815
H	HOH816
H	HOH835
H	HOH848
H	HOH874

---

site_id	AD4
Number of Residues	8
Details	binding site for residue MG H 602

Chain	Residue
H	ALA147
H	VAL148
H	GLY149
H	ILE352
H	GLY353
H	ASP354
H	CYS355
H	FAD601

---

site_id	AD5
Number of Residues	5
Details	binding site for residue MG H 603

Chain	Residue
H	GLY49
H	GLY51
H	GLY52
H	ALA147
H	FAD601

---

site_id	AD6
Number of Residues	5
Details	binding site for residue MG H 604

Chain	Residue
H	GLY49
H	ARG72
H	THR76
H	FAD601
H	HOH815

---

site_id	AD7
Number of Residues	5
Details	binding site for residue MG H 605

Chain	Residue
H	GLY149
H	ALA150
H	LYS168
H	FAD601
H	HOH702

---

site_id	AD8
Number of Residues	1
Details	binding site for residue TRT H 606

Chain	Residue
H	ARG514

---

site_id	AD9
Number of Residues	4
Details	binding site for residue TRT H 607

Chain	Residue
A	TRP511
A	ARG514
A	PHE518
H	TYR527

---

site_id	AE1
Number of Residues	10
Details	binding site for residue TRT H 608

Chain	Residue
H	LYS440
H	LYS470
H	VAL502
H	VAL503
H	TYR504
H	GLN506
H	LEU507
H	HOH740
H	HOH848
H	HOH865

---

site_id	AE2
Number of Residues	11
Details	binding site for residue 4W0 H 609

Chain	Residue
H	GLU218
H	ASP221
H	LYS225
H	TYR475
H	ASN478
H	HIS479
H	SER497
H	TRP500
H	LYS501
H	ARG529
H	HOH724

---