5WGW

Crystal Structure of Wild-type MalA', malbrancheamide B complex

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004497	molecular_function	monooxygenase activity
A	0044550	biological_process	secondary metabolite biosynthetic process
A	0140907	molecular_function	flavin-dependent halogenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	39
Details	binding site for residue FAD A 701

Chain	Residue
A	GLY44
A	ILE79
A	GLY80
A	GLU81
A	SER82
A	ARG144
A	GLU167
A	VAL168
A	PHE170
A	ALA206
A	THR207
A	GLY46
A	GLY208
A	TRP265
A	ARG379
A	ASP399
A	PHE403
A	PRO406
A	SER409
A	GLY411
A	ILE412
A	ASN413
A	ILE47
A	HOH831
A	HOH848
A	HOH954
A	HOH962
A	HOH973
A	HOH990
A	HOH1045
A	HOH1085
A	HOH1106
A	HOH1119
A	HIS48
A	ILE69
A	GLU70
A	LYS71
A	ASN72
A	LYS78

---

site_id	AC2
Number of Residues	4
Details	binding site for residue CD A 702

Chain	Residue
A	GLU11
A	GLU11
A	HOH1185
A	HOH1185

---

site_id	AC3
Number of Residues	6
Details	binding site for residue CD A 703

Chain	Residue
A	HIS531
A	HIS531
A	GLU548
A	GLU548
A	HOH1228
A	HOH1228

---

site_id	AC4
Number of Residues	2
Details	binding site for residue CD A 704

Chain	Residue
A	ASP543
A	ASP547

---

site_id	AC5
Number of Residues	6
Details	binding site for residue CD A 705

Chain	Residue
A	CYS112
A	CYS128
A	LEU248
A	HIS253
A	HOH1049
A	HOH1244

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN A 706

Chain	Residue
A	CYS597
A	CYS600
A	CYS613
A	CYS616

---

site_id	AC7
Number of Residues	5
Details	binding site for residue SO4 A 707

Chain	Residue
A	ASN229
A	LYS345
A	LYS380
A	HOH880
A	HOH943

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 A 708

Chain	Residue
A	PRO238
A	LYS239
A	ASP240

---

site_id	AC9
Number of Residues	2
Details	binding site for residue SO4 A 709

Chain	Residue
A	ARG220
A	ARG222

---

site_id	AD1
Number of Residues	8
Details	binding site for residue SO4 A 710

Chain	Residue
A	PRO301
A	SER302
A	GLU305
A	LYS612
A	CYS616
A	GLY617
A	HOH964
A	HOH979

---

site_id	AD2
Number of Residues	2
Details	binding site for residue SO4 A 711

Chain	Residue
A	ARG209
A	HOH941

---

site_id	AD3
Number of Residues	3
Details	binding site for residue SO4 A 712

Chain	Residue
A	PRO35
A	ASP36
A	GLU37

---

site_id	AD4
Number of Residues	4
Details	binding site for residue CL A 713

Chain	Residue
A	LYS108
A	LEU111
A	SER409
A	HOH1080

---

site_id	AD5
Number of Residues	14
Details	binding site for residue MB5 A 714

Chain	Residue
A	TRP645
A	HOH852
A	HOH991
A	PRO85
A	VAL130
A	GLY131
A	ALA132
A	PRO133
A	PHE489
A	ILE493
A	GLU494
A	TRP514
A	ILE573
A	LEU641

---

site_id	AD6
Number of Residues	10
Details	binding site for residue MB5 A 715

Chain	Residue
A	GLY179
A	TRP421
A	GLY433
A	LYS434
A	SER435
A	PRO437
A	ALA438
A	HIS507
A	ILE510
A	HOH1060

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:28777910, ECO:0007744|PDB:5WGR, ECO:0007744|PDB:5WGS, ECO:0007744|PDB:5WGT, ECO:0007744|PDB:5WGU, ECO:0007744|PDB:5WGV, ECO:0007744|PDB:5WGW, ECO:0007744|PDB:5WGX, ECO:0007744|PDB:5WGY, ECO:0007744|PDB:5WGZ

Chain	Residue	Details
A	LYS108

---

site_id	SWS_FT_FI2
Number of Residues	13
Details	BINDING: BINDING => ECO:0000269|PubMed:28777910, ECO:0007744|PDB:5WGR, ECO:0007744|PDB:5WGS, ECO:0007744|PDB:5WGT, ECO:0007744|PDB:5WGU, ECO:0007744|PDB:5WGV, ECO:0007744|PDB:5WGW, ECO:0007744|PDB:5WGX, ECO:0007744|PDB:5WGY, ECO:0007744|PDB:5WGZ

Chain	Residue	Details
A	HIS48
A	CYS597
A	CYS600
A	CYS613
A	CYS616
A	GLU70
A	ILE79
A	SER82
A	ARG144
A	VAL168
A	ASP399
A	ILE412
A	GLU494

---