4ICY

Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0016709	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
A	0046872	molecular_function	metal ion binding
A	0071949	molecular_function	FAD binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	32
Details	BINDING SITE FOR RESIDUE FAD A 501

Chain	Residue
A	VAL8
A	ARG42
A	GLY43
A	GLN96
A	HIS118
A	GLU119
A	VAL120
A	CYS151
A	ASP152
A	GLY153
A	SER157
A	GLY9
A	GLY274
A	ASP275
A	GLY285
A	GLN286
A	GLY287
A	MET288
A	ASN289
A	SER291
A	CL511
A	HOH643
A	GLY11
A	HOH662
A	HOH674
A	HOH683
A	PRO12
A	ALA13
A	LEU31
A	GLU32
A	ARG33
A	LEU34

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 502

Chain	Residue
A	HIS73
A	GLY284
A	GLY285
A	PHE340

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 503

Chain	Residue
A	THR398
A	THR400
A	ARG401
A	HOH649

---

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL A 504

Chain	Residue
A	ARG267

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 505

Chain	Residue
A	LEU23
A	ALA24
A	ASN307
A	ARG413

---

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO A 506

Chain	Residue
A	THR376

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 507

Chain	Residue
A	ARG428
A	TRP468
A	HIS475
A	ASP476
A	LEU477
A	HOH654
A	HOH654

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 508

Chain	Residue
A	GLY360
A	GLU361
A	GLU361
A	ARG364

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 509

Chain	Residue
A	TRP300
A	ARG435
A	HOH661

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 510

Chain	Residue
A	ARG401
A	GLU402

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 511

Chain	Residue
A	HIS280
A	PRO282
A	GLN286
A	GLY287
A	FAD501

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