Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6Q2M

Crystal structure of Photinus pyralis Luciferase Pps6 mutant in complex with DLSA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004497	molecular_function	monooxygenase activity
A	0005524	molecular_function	ATP binding
A	0005777	cellular_component	peroxisome
A	0008218	biological_process	bioluminescence
A	0016405	molecular_function	CoA-ligase activity
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
A	0047077	molecular_function	Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing) activity
A	0051087	molecular_function	protein-folding chaperone binding
B	0000166	molecular_function	nucleotide binding
B	0004497	molecular_function	monooxygenase activity
B	0005524	molecular_function	ATP binding
B	0005777	cellular_component	peroxisome
B	0008218	biological_process	bioluminescence
B	0016405	molecular_function	CoA-ligase activity
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
B	0047077	molecular_function	Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing) activity
B	0051087	molecular_function	protein-folding chaperone binding
C	0000166	molecular_function	nucleotide binding
C	0004497	molecular_function	monooxygenase activity
C	0005524	molecular_function	ATP binding
C	0005777	cellular_component	peroxisome
C	0008218	biological_process	bioluminescence
C	0016405	molecular_function	CoA-ligase activity
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
C	0047077	molecular_function	Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing) activity
C	0051087	molecular_function	protein-folding chaperone binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	binding site for residue SO4 A 601

Chain	Residue
A	VAL516
A	VAL517
A	PHE518

site_id	AC2
Number of Residues	4
Details	binding site for residue DYD A 602

Chain	Residue
A	ASP19
A	GLY20
A	ASP187
A	ARG188

site_id	AC3
Number of Residues	4
Details	binding site for residue DYD A 603

Chain	Residue
A	ASP279
A	TYR280
A	ASN50
A	ARG261

site_id	AC4
Number of Residues	2
Details	binding site for residue EDO A 604

Chain	Residue
A	LYS130
C	PRO174

site_id	AC5
Number of Residues	3
Details	binding site for residue EDO A 605

Chain	Residue
A	ASP157
A	GLN159
A	GLY160

site_id	AC6
Number of Residues	2
Details	binding site for residue EDO A 606

Chain	Residue
A	ASN229
A	GLN230

site_id	AC7
Number of Residues	7
Details	binding site for residue EDO A 607

Chain	Residue
A	GLY324
A	GLU325
A	ILE336
A	PRO359
A	HOH714
A	HOH771
A	HOH781

site_id	AC8
Number of Residues	2
Details	binding site for residue EDO A 608

Chain	Residue
A	ASP302
A	TYR304

site_id	AC9
Number of Residues	3
Details	binding site for residue EDO A 609

Chain	Residue
A	ASN385
A	GLN386
A	ARG387

site_id	AD1
Number of Residues	2
Details	binding site for residue EDO A 610

Chain	Residue
A	ARG69
A	HIS171

site_id	AD2
Number of Residues	6
Details	binding site for residue EDO A 611

Chain	Residue
A	ASN84
A	VAL240
A	PRO242
A	MET265
A	HOH801
A	HOH878

site_id	AD3
Number of Residues	2
Details	binding site for residue EDO A 612

Chain	Residue
A	GLU111
A	HOH866

site_id	AD4
Number of Residues	3
Details	binding site for residue EDO A 613

Chain	Residue
A	ASN177
A	ASP180
C	ILE47

site_id	AD5
Number of Residues	3
Details	binding site for residue EDO A 614

Chain	Residue
A	GLY394
A	ILE397
A	HOH823

site_id	AD6
Number of Residues	2
Details	binding site for residue EDO A 615

Chain	Residue
A	PHE368
A	GLU370

site_id	AD7
Number of Residues	6
Details	binding site for residue EDO A 616

Chain	Residue
A	LEU459
A	GLN460
A	HIS461
A	PRO462
A	ILE464
A	GLU488

site_id	AD8
Number of Residues	4
Details	binding site for residue EDO A 617

Chain	Residue
A	TYR70
A	HIS76
A	GLN147
A	HOH761

site_id	AD9
Number of Residues	3
Details	binding site for residue EDO A 618

Chain	Residue
A	LEU342
A	ARG437
A	HOH745

site_id	AE1
Number of Residues	3
Details	binding site for residue EDO A 619

Chain	Residue
A	GLN87
A	ASP153
A	LYS155

site_id	AE2
Number of Residues	22
Details	binding site for residue SLU A 620

Chain	Residue
A	SER199
A	HIS245
A	PHE247
A	THR251
A	GLY316
A	ALA317
A	PRO318
A	GLN338
A	GLY339
A	TYR340
A	GLY341
A	LEU342
A	THR343
A	SER347
A	ALA348
A	VAL362
A	ASP422
A	ARG437
A	LYS529
A	HOH706
A	HOH743
A	HOH813

site_id	AE3
Number of Residues	2
Details	binding site for residue SO4 B 601

Chain	Residue
B	GLU370
B	ARG393

site_id	AE4
Number of Residues	3
Details	binding site for residue SO4 B 602

Chain	Residue
B	ASP19
B	GLY20
B	ARG188

site_id	AE5
Number of Residues	2
Details	binding site for residue SO4 B 603

Chain	Residue
B	TYR179
B	EDO608

site_id	AE6
Number of Residues	4
Details	binding site for residue EDO B 604

Chain	Residue
A	ASP302
A	ARG330
B	PRO13
B	PHE14

site_id	AE7
Number of Residues	2
Details	binding site for residue EDO B 605

Chain	Residue
B	GLU55
B	LYS155

site_id	AE8
Number of Residues	1
Details	binding site for residue EDO B 606

Chain	Residue
B	SER185

site_id	AE9
Number of Residues	4
Details	binding site for residue EDO B 607

Chain	Residue
B	ARG218
B	PHE227
B	ILE351
B	SLU611

site_id	AF1
Number of Residues	2
Details	binding site for residue EDO B 608

Chain	Residue
B	TYR179
B	SO4603

site_id	AF2
Number of Residues	1
Details	binding site for residue EDO B 609

Chain	Residue
B	SER399

site_id	AF3
Number of Residues	1
Details	binding site for residue EDO B 610

Chain	Residue
B	ASN403

site_id	AF4
Number of Residues	17
Details	binding site for residue SLU B 611

Chain	Residue
B	HIS245
B	PHE247
B	THR251
B	SER314
B	GLY316
B	ALA317
B	PRO318
B	GLY339
B	TYR340
B	GLY341
B	LEU342
B	THR343
B	SER347
B	ALA348
B	ASP422
B	ARG437
B	EDO607

site_id	AF5
Number of Residues	3
Details	binding site for residue SO4 C 601

Chain	Residue
C	ASN50
C	ARG261
C	EDO615

site_id	AF6
Number of Residues	4
Details	binding site for residue SO4 C 602

Chain	Residue
C	LYS372
C	ARG393
C	ASP415
C	TRP417

site_id	AF7
Number of Residues	2
Details	binding site for residue DYD C 603

Chain	Residue
A	ASN177
C	GLU83

site_id	AF8
Number of Residues	1
Details	binding site for residue DYD C 604

Chain	Residue
C	VAL288

site_id	AF9
Number of Residues	2
Details	binding site for residue EDO C 605

Chain	Residue
C	ASP19
C	GLY20

site_id	AG1
Number of Residues	3
Details	binding site for residue EDO C 606

Chain	Residue
A	GLU55
A	GLU58
C	HIS46

site_id	AG2
Number of Residues	1
Details	binding site for residue EDO C 607

Chain	Residue
C	ASN75

site_id	AG3
Number of Residues	3
Details	binding site for residue EDO C 608

Chain	Residue
C	SER170
C	HIS171
C	LEU172

site_id	AG4
Number of Residues	2
Details	binding site for residue EDO C 609

Chain	Residue
C	ASN177
C	TYR179

site_id	AG5
Number of Residues	1
Details	binding site for residue EDO C 610

Chain	Residue
C	ARG77

site_id	AG6
Number of Residues	6
Details	binding site for residue EDO C 611

Chain	Residue
A	LYS31
A	LEU35
A	TYR179
C	LYS130
C	TYR158
C	HOH723

site_id	AG7
Number of Residues	3
Details	binding site for residue EDO C 612

Chain	Residue
C	ASN110
C	GLU111
C	ARG112

site_id	AG8
Number of Residues	4
Details	binding site for residue EDO C 613

Chain	Residue
A	GLU58
C	HIS46
C	TYR266
C	ARG267

site_id	AG9
Number of Residues	3
Details	binding site for residue EDO C 614

Chain	Residue
C	ASN385
C	ARG387
C	TYR425

site_id	AH1
Number of Residues	2
Details	binding site for residue EDO C 615

Chain	Residue
C	TYR280
C	SO4601

site_id	AH2
Number of Residues	2
Details	binding site for residue EDO C 617

Chain	Residue
C	ASN229
C	GLU311

site_id	AH3
Number of Residues	2
Details	binding site for residue EDO C 618

Chain	Residue
C	ARG32
C	TYR33

site_id	AH4
Number of Residues	2
Details	binding site for residue EDO C 619

Chain	Residue
C	LYS31
C	HOH765

site_id	AH5
Number of Residues	2
Details	binding site for residue EDO C 620

Chain	Residue
C	GLN87
C	TYR165

site_id	AH6
Number of Residues	13
Details	binding site for residue SLU C 621

Chain	Residue
C	HIS245
C	PHE247
C	THR251
C	GLY316
C	ALA317
C	PRO318
C	GLY339
C	TYR340
C	GLY341
C	LEU342
C	THR343
C	ALA348
C	ASP422

Functional Information from PROSITE/UniProt

site_id	PS00455
Number of Residues	12
Details	AMP_BINDING Putative AMP-binding domain signature. IMNSSGSTGlPK

Chain	Residue	Details
A	ILE195-LYS206

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 128

Chain	Residue	Details
A	ARG218	electrostatic stabiliser
A	HIS245	electrostatic stabiliser
A	THR343	electrostatic stabiliser, hydrogen bond donor
A	LYS443	electrostatic stabiliser, hydrogen bond donor
A	LYS529	electrostatic stabiliser, hydrogen bond donor

site_id	MCSA2
Number of Residues	5
Details	M-CSA 128

Chain	Residue	Details
B	ARG218	electrostatic stabiliser
B	HIS245	electrostatic stabiliser
B	THR343	electrostatic stabiliser, hydrogen bond donor
B	LYS443	electrostatic stabiliser, hydrogen bond donor
B	LYS529	electrostatic stabiliser, hydrogen bond donor

site_id	MCSA3
Number of Residues	3
Details	M-CSA 128

Chain	Residue	Details
C	ARG218	electrostatic stabiliser
C	HIS245	electrostatic stabiliser
C	THR343	electrostatic stabiliser, hydrogen bond donor

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)