2QA9

Crystal structure of the second tetrahedral intermediates of SGPB at pH 4.2

Functional Information from GO Data

Chain	GOid	namespace	contents
E	0004252	molecular_function	serine-type endopeptidase activity
E	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL E 411

Chain	Residue
E	THR163
E	ARG182
E	HOH459
E	HOH659

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site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL E 412

Chain	Residue
E	ARG81

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site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 E 421

Chain	Residue
E	THR157
E	THR157
E	GOL401
E	GOL401
E	HOH655
E	HOH655
E	ARG139
E	ARG139
E	GLY156
E	GLY156

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E 422

Chain	Residue
E	ARG208
E	HOH463
E	HOH489
E	HOH564
E	HOH592
E	HOH651

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site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO E 431

Chain	Residue
E	SER33
E	THR39
E	GLY40
E	CYS42
E	HOH514

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site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO E 432

Chain	Residue
E	GLY40
E	ARG41
E	PRO192
E	SER221

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO E 433

Chain	Residue
E	HIS57
E	ASP60
E	HOH519
E	HOH630
E	HOH674
I	ILE3

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site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO E 434

Chain	Residue
E	THR64
E	THR65
E	TRP67
E	VAL132
E	HOH477
E	HOH531
E	HOH534
E	HOH641

---

site_id	AC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE GOL E 401

Chain	Residue
E	GLY19
E	ASP29
E	ARG139
E	GLY140
E	SER141
E	THR143
E	GLY156
E	THR157
E	HIS158
E	SO4421
E	SO4421
E	HOH453
E	HOH541
E	HOH549
E	HOH621

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Functional Information from PROSITE/UniProt

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAGHC

Chain	Residue	Details
E	LEU53-CYS58

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site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. CAepGDSGGPLY

Chain	Residue	Details
E	CYS191-TYR200

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: Charge relay system

Chain	Residue	Details
E	HIS57
E	ASP102
E	SER195

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues
Details	M-CSA 608

Chain	Residue	Details
E	HIS57	proton acceptor, proton donor
E	ASP102	electrostatic stabiliser
E	GLY193	electrostatic stabiliser
E	SER195	nucleofuge, nucleophile, proton acceptor, proton donor
E	SER214	electrostatic stabiliser

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