6P3H

Crystal structure of LigU(K66M) bound to substrate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016853	molecular_function	isomerase activity
A	0019439	biological_process	obsolete aromatic compound catabolic process
A	0046274	biological_process	lignin catabolic process
B	0016853	molecular_function	isomerase activity
B	0019439	biological_process	obsolete aromatic compound catabolic process
B	0046274	biological_process	lignin catabolic process
C	0016853	molecular_function	isomerase activity
C	0019439	biological_process	obsolete aromatic compound catabolic process
C	0046274	biological_process	lignin catabolic process
D	0016853	molecular_function	isomerase activity
D	0019439	biological_process	obsolete aromatic compound catabolic process
D	0046274	biological_process	lignin catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue NQM A 401

Chain	Residue
A	SER21
A	ILE276
A	HIS281
A	GLY285
A	VAL286
A	LEU287
A	GLY288
A	HOH516
A	HOH550
A	HOH604
A	LEU63
A	MET66
A	GLN98
A	CYS100
A	GLY101
A	ASN102
A	MET203
A	LYS257

---

site_id	AC2
Number of Residues	5
Details	binding site for residue CL A 402

Chain	Residue
A	ARG28
A	ALA29
A	HOH696
A	HOH738
A	HOH796

---

site_id	AC3
Number of Residues	2
Details	binding site for residue CL A 403

Chain	Residue
A	SER147
A	VAL148

---

site_id	AC4
Number of Residues	17
Details	binding site for residue NQM D 401

Chain	Residue
D	SER21
D	MET66
D	GLN98
D	CYS100
D	GLY101
D	ASN102
D	MET203
D	LYS257
D	ILE276
D	HIS281
D	GLY285
D	VAL286
D	LEU287
D	GLY288
D	HOH555
D	HOH559
D	HOH593

---

site_id	AC5
Number of Residues	5
Details	binding site for residue CL D 402

Chain	Residue
D	ARG28
D	ALA29
D	HOH524
D	HOH660
D	HOH785

---

site_id	AC6
Number of Residues	16
Details	binding site for residue NQM C 401

Chain	Residue
C	SER21
C	MET66
C	GLN98
C	CYS100
C	GLY101
C	ASN102
C	MET203
C	LYS257
C	HIS281
C	GLY285
C	VAL286
C	LEU287
C	GLY288
C	HOH554
C	HOH561
C	HOH575

---

site_id	AC7
Number of Residues	4
Details	binding site for residue CL C 402

Chain	Residue
C	ARG28
C	ALA29
C	HOH797
C	HOH932

---

site_id	AC8
Number of Residues	16
Details	binding site for residue NQM B 401

Chain	Residue
B	SER21
B	MET66
B	GLN98
B	CYS100
B	GLY101
B	ASN102
B	MET203
B	LYS257
B	HIS281
B	GLY285
B	VAL286
B	LEU287
B	GLY288
B	HOH595
B	HOH612
B	HOH671

---

site_id	AC9
Number of Residues	2
Details	binding site for residue CL B 402

Chain	Residue
B	SER147
B	VAL148

---

site_id	AD1
Number of Residues	4
Details	binding site for residue CL B 403

Chain	Residue
B	ARG28
B	ALA29
B	HOH762
B	HOH776

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