Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6JVC

Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0020037	molecular_function	heme binding
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0020037	molecular_function	heme binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue WAA A 501

Chain	Residue
A	LEU20
A	PHE87
A	LEU188
A	MET354
A	LEU437
A	HOH772
A	VAL26
A	LEU29
A	ARG47
A	TYR51
A	SER72
A	GLN73
A	ALA74
A	LEU75

site_id	AC2
Number of Residues	4
Details	binding site for residue GOL A 502

Chain	Residue
A	ASP68
A	HIS92
A	LYS336
A	HOH608

site_id	AC3
Number of Residues	3
Details	binding site for residue GOL A 503

Chain	Residue
A	VAL286
A	GLU377
A	HOH701

site_id	AC4
Number of Residues	9
Details	binding site for residue GOL A 504

Chain	Residue
A	LYS391
A	GLY394
A	ASN395
A	GLY396
A	ALA399
A	GLN403
A	HOH648
A	HOH687
A	HOH809

site_id	AC5
Number of Residues	2
Details	binding site for residue GOL A 505

Chain	Residue
A	ARG79
A	HOH709

site_id	AC6
Number of Residues	4
Details	binding site for residue GOL A 506

Chain	Residue
A	LYS24
A	ALA28
A	LYS31
A	HOH818

site_id	AC7
Number of Residues	4
Details	binding site for residue GOL A 507

Chain	Residue
A	ASP121
A	ARG161
C	GLU131
C	ARG132

site_id	AC8
Number of Residues	8
Details	binding site for residue GOL A 508

Chain	Residue
A	TRP130
A	GLU131
A	LEU133
A	ASN134
A	ALA448
A	SER450
A	HOH631
A	HOH776

site_id	AC9
Number of Residues	7
Details	binding site for residue GOL A 509

Chain	Residue
A	ILE366
A	TRP367
A	ARG378
A	ALA384
A	ILE385
A	HOH693
A	HOH737

site_id	AD1
Number of Residues	6
Details	binding site for residue GOL A 510

Chain	Residue
A	GLN73
A	PHE77
A	ASP80
A	HOH682
A	HOH832
A	HOH840

site_id	AD2
Number of Residues	4
Details	binding site for residue GOL A 511

Chain	Residue
A	ASN319
A	PRO382
A	HOH604
A	HOH607

site_id	AD3
Number of Residues	29
Details	binding site for residue COH A 512

Chain	Residue
A	LYS69
A	LEU86
A	PHE87
A	TRP96
A	ILE153
A	ALA264
A	GLY265
A	THR268
A	THR269
A	LEU322
A	THR327
A	ALA328
A	PHE331
A	PRO392
A	PHE393
A	GLY394
A	ARG398
A	ALA399
A	CYS400
A	ILE401
A	GLY402
A	ALA406
A	DMS513
A	HOH654
A	HOH655
A	HOH656
A	HOH674
A	HOH727
A	HOH749

site_id	AD4
Number of Residues	3
Details	binding site for residue DMS A 513

Chain	Residue
A	PHE87
A	ALA264
A	COH512

site_id	AD5
Number of Residues	13
Details	binding site for residue WAA C 501

Chain	Residue
C	LEU29
C	ARG47
C	TYR51
C	SER72
C	GLN73
C	ALA74
C	LEU75
C	PHE87
C	LEU188
C	LEU437
C	HOH690
C	LEU20
C	VAL26

site_id	AD6
Number of Residues	5
Details	binding site for residue GOL C 502

Chain	Residue
C	ILE366
C	ARG378
C	ALA384
C	HOH651
C	HOH665

site_id	AD7
Number of Residues	6
Details	binding site for residue GOL C 503

Chain	Residue
C	ASP23
C	ASP182
C	MET185
C	ASN186
C	GLU435
C	THR436

site_id	AD8
Number of Residues	3
Details	binding site for residue GOL C 504

Chain	Residue
C	TRP90
C	HIS92
C	TYR334

site_id	AD9
Number of Residues	6
Details	binding site for residue GOL C 505

Chain	Residue
C	VAL178
C	LEU181
C	ASP182
C	GLU267
C	THR436
C	THR438

site_id	AE1
Number of Residues	5
Details	binding site for residue GOL C 506

Chain	Residue
C	LYS391
C	GLY394
C	ASN395
C	GLY396
C	GLN403

site_id	AE2
Number of Residues	4
Details	binding site for residue GOL C 507

Chain	Residue
C	ASP80
C	LYS187
C	GLN206
C	HOH742

site_id	AE3
Number of Residues	2
Details	binding site for residue GOL C 508

Chain	Residue
C	LYS9
C	HOH607

site_id	AE4
Number of Residues	4
Details	binding site for residue GOL C 509

Chain	Residue
C	LYS241
C	GLY246
C	HIS285
C	GLN288

site_id	AE5
Number of Residues	6
Details	binding site for residue GOL C 510

Chain	Residue
C	GLN288
C	ALA291
C	GLU292
C	LYS451
C	HOH749
C	HOH754

site_id	AE6
Number of Residues	7
Details	binding site for residue GOL C 511

Chain	Residue
C	ASP68
C	THR91
C	HIS92
C	TYR334
C	LYS336
C	GOL512
C	HOH602

site_id	AE7
Number of Residues	5
Details	binding site for residue GOL C 512

Chain	Residue
C	THR91
C	LYS97
C	GLN397
C	GOL511
C	HOH737

site_id	AE8
Number of Residues	2
Details	binding site for residue GOL C 513

Chain	Residue
C	ARG79
C	TYR256

site_id	AE9
Number of Residues	25
Details	binding site for residue COH C 514

Chain	Residue
C	LYS69
C	LEU86
C	PHE87
C	TRP96
C	ALA264
C	THR268
C	THR269
C	LEU322
C	THR327
C	PHE331
C	PRO392
C	PHE393
C	GLY394
C	ARG398
C	ALA399
C	CYS400
C	ILE401
C	PHE405
C	DMS515
C	HOH642
C	HOH650
C	HOH655
C	HOH730
C	HOH732
C	HOH744

site_id	AF1
Number of Residues	3
Details	binding site for residue DMS C 515

Chain	Residue
C	PHE87
C	ALA264
C	COH514

site_id	AF2
Number of Residues	7
Details	binding site for residue TRS C 516

Chain	Residue
C	TRP130
C	LEU133
C	ASN134
C	ALA448
C	LYS449
C	SER450
C	LYS452

Functional Information from PROSITE/UniProt

site_id	PS00086
Number of Residues	10
Details	CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGnGQRACIG

Chain	Residue	Details
A	PHE393-GLY402

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15020590","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SMJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"10051560","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11695889","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11695892","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14653735","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15020590","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15299332","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16403573","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17077084","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17429965","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17868686","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18004886","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18298086","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18619466","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18721129","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19492389","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20180779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20947800","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21110374","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21875028","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7578081","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8342039","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9033595","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BU7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BVY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FAG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FAH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JME","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JPZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P0V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P0W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P0X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SMI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SMJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1YQO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1YQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZO4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZO9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZOA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BMH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HPD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IJ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IJ4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2J1M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2J4S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2UWH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3BEN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3CBD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EKD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HF2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KX3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KX4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KX5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M4V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NPL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	2
Details	Site: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"16403573","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"7578081","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 699

Chain	Residue	Details
A	THR268	electrostatic stabiliser, steric role
A	PHE393	electrostatic stabiliser, steric role
A	CYS400	electrostatic stabiliser

site_id	MCSA2
Number of Residues	3
Details	M-CSA 699

Chain

Residue

Details

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