5WGY

Crystal Structure of MalA' C112S/C128S, 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	40
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	ALA230
A	TRP265
A	ARG379
A	ASP399
A	PHE403
A	PRO406
A	SER409
A	GLY411
A	ILE412
A	ILE47
A	ASN413
A	HOH802
A	HOH861
A	HOH871
A	HOH898
A	HOH942
A	HOH958
A	HOH1018
A	HOH1039
A	HOH1088
A	HIS48
A	HOH1102
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	HOH1181
A	HOH1181

---

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	HOH1213
A	HOH1213

---

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	4
Details	binding site for residue ZN A 705

Chain	Residue
A	CYS597
A	CYS600
A	CYS613
A	CYS616

---

site_id	AC6
Number of Residues	6
Details	binding site for residue SO4 A 706

Chain	Residue
A	ASN229
A	LYS345
A	LYS380
A	HOH819
A	HOH821
A	HOH880

---

site_id	AC7
Number of Residues	4
Details	binding site for residue SO4 A 707

Chain	Residue
A	PRO238
A	LYS239
A	ASP240
A	HOH1001

---

site_id	AC8
Number of Residues	2
Details	binding site for residue SO4 A 708

Chain	Residue
A	ARG220
A	ARG222

---

site_id	AC9
Number of Residues	8
Details	binding site for residue SO4 A 709

Chain	Residue
A	PRO301
A	SER302
A	GLU305
A	LYS612
A	CYS616
A	GLY617
A	HOH863
A	HOH1019

---

site_id	AD1
Number of Residues	4
Details	binding site for residue SO4 A 710

Chain	Residue
A	PRO35
A	ASP36
A	GLU37
A	LYS65

---

site_id	AD2
Number of Residues	3
Details	binding site for residue SO4 A 711

Chain	Residue
A	GLN523
A	ARG555
A	ILE556

---

site_id	AD3
Number of Residues	2
Details	binding site for residue SO4 A 712

Chain	Residue
A	ARG209
A	HOH1073

---

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

Chain	Residue
A	LYS108
A	LEU111
A	SER409
A	HOH1006

---

site_id	AD5
Number of Residues	15
Details	binding site for residue MB5 A 714

Chain	Residue
A	ILE573
A	LEU641
A	HOH933
A	HOH1013
A	HOH1093
A	PRO85
A	SER129
A	VAL130
A	GLY131
A	ALA132
A	PRO133
A	PHE489
A	ILE493
A	GLU494
A	TRP514

---

site_id	AD6
Number of Residues	11
Details	binding site for residue MB5 A 715

Chain	Residue
A	GLY179
A	GLN180
A	TRP421
A	GLY433
A	ALA436
A	PRO437
A	ALA438
A	HIS507
A	ILE510
A	GLU656
A	HOH1172

---

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

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