5NDX

The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003940	molecular_function	L-iduronidase activity
A	0004553	molecular_function	hydrolase activity, hydrolyzing O-glycosyl compounds
A	0005975	biological_process	carbohydrate metabolic process
A	0016798	molecular_function	hydrolase activity, acting on glycosyl bonds

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	binding site for residue SO4 A 701

Chain	Residue
A	PHE18
A	ASN19
A	ARG20
A	ARG23
A	8U8713
A	HOH841
A	HOH1029
A	HOH1044
A	HOH1046

---

site_id	AC2
Number of Residues	8
Details	binding site for residue SO4 A 702

Chain	Residue
A	LYS228
A	LYS228
A	HIS275
A	HIS275
A	HOH854
A	HOH854
A	HOH1023
A	HOH1023

---

site_id	AC3
Number of Residues	3
Details	binding site for residue SO4 A 703

Chain	Residue
A	THR479
A	GLU480
A	HOH818

---

site_id	AC4
Number of Residues	2
Details	binding site for residue SO4 A 704

Chain	Residue
A	ARG297
A	HOH805

---

site_id	AC5
Number of Residues	6
Details	binding site for residue SO4 A 705

Chain	Residue
A	ALA458
A	GLN459
A	ARG460
A	PRO471
A	VAL472
A	GLY473

---

site_id	AC6
Number of Residues	3
Details	binding site for residue SO4 A 706

Chain	Residue
A	ARG607
A	ARG613
A	HOH1038

---

site_id	AC7
Number of Residues	6
Details	binding site for residue SO4 A 707

Chain	Residue
A	ALA533
A	ALA534
A	LEU538
A	HOH840
A	HOH918
A	HOH991

---

site_id	AC8
Number of Residues	1
Details	binding site for residue SO4 A 708

Chain	Residue
A	SO4709

---

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

Chain	Residue
A	ARG332
A	SO4708

---

site_id	AD1
Number of Residues	6
Details	binding site for residue SO4 A 710

Chain	Residue
A	VAL15
A	ARG16
A	HOH803
A	HOH936
A	HOH951
A	HOH1067

---

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

Chain	Residue
A	ARG126
A	HOH967

---

site_id	AD3
Number of Residues	15
Details	binding site for residue 8U8 A 712

Chain	Residue
A	HIS59
A	ASN145
A	GLN146
A	SER149
A	ALA185
A	ARG186
A	LYS222
A	GLU265
A	GLY271
A	TRP272
A	ASP313
A	ARG323
A	ARG466
A	HOH867
A	HOH1035

---

site_id	AD4
Number of Residues	15
Details	binding site for residue 8U8 A 713

Chain	Residue
A	ARG23
A	LYS54
A	PHE55
A	PHE93
A	TYR140
A	TYR216
A	PRO260
A	THR308
A	PHE309
A	SO4701
A	HOH827
A	HOH880
A	HOH913
A	HOH965
A	HOH973

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