Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5L6J

Uba1 in complex with Ub-MLN7243 covalent adduct

Replaces: 3CMMReplaces: 4NNJ

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004839	molecular_function	ubiquitin activating enzyme activity
A	0005524	molecular_function	ATP binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0006511	biological_process	ubiquitin-dependent protein catabolic process
A	0006974	biological_process	DNA damage response
A	0008641	molecular_function	ubiquitin-like modifier activating enzyme activity
A	0016567	biological_process	protein ubiquitination
A	0016874	molecular_function	ligase activity
A	0036211	biological_process	protein modification process
C	0004839	molecular_function	ubiquitin activating enzyme activity
C	0005524	molecular_function	ATP binding
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0006511	biological_process	ubiquitin-dependent protein catabolic process
C	0006974	biological_process	DNA damage response
C	0008641	molecular_function	ubiquitin-like modifier activating enzyme activity
C	0016567	biological_process	protein ubiquitination
C	0016874	molecular_function	ligase activity
C	0036211	biological_process	protein modification process

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	binding site for residue SO4 A 1101

Chain	Residue
A	ARG21
A	ASN478
A	ARG481
A	HOH1201
A	HOH1234
A	HOH1262
A	HOH1299
B	61T101

site_id	AC2
Number of Residues	5
Details	binding site for residue SO4 A 1102

Chain	Residue
A	LYS28
A	GLU29
A	HOH1264
A	HOH1309
A	GLY27

site_id	AC3
Number of Residues	2
Details	binding site for residue CL A 1103

Chain	Residue
A	GLY178
A	LYS381

site_id	AC4
Number of Residues	3
Details	binding site for residue CL A 1104

Chain	Residue
A	ASP130
A	ARG157
A	HOH1483

site_id	AC5
Number of Residues	10
Details	binding site for residue GOL A 1105

Chain	Residue
A	LEU134
A	SER153
A	GLU155
A	ASN162
A	HIS293
A	PHE296
A	GLN297
A	HIS300
A	TYR390
A	HOH1312

site_id	AC6
Number of Residues	1
Details	binding site for residue GOL A 1106

Chain	Residue
A	PHE532

site_id	AC7
Number of Residues	10
Details	binding site for residue GOL A 1107

Chain	Residue
A	ASP282
A	LYS285
A	PHE391
A	ASP392
A	SER393
A	GLU395
A	LYS895
A	PHE908
A	HOH1301
A	HOH1336

site_id	AC8
Number of Residues	2
Details	binding site for residue GOL A 1108

Chain	Residue
A	ALA714
A	HOH1291

site_id	AC9
Number of Residues	4
Details	binding site for residue GOL A 1109

Chain	Residue
A	TYR24
A	GLU180
A	LYS854
A	HOH1275

site_id	AD1
Number of Residues	3
Details	binding site for residue GOL A 1110

Chain	Residue
A	ARG288
A	ASN344
A	HOH1227

site_id	AD2
Number of Residues	3
Details	binding site for residue GOL A 1111

Chain	Residue
A	LEU737
A	ASN828
A	HIS830

site_id	AD3
Number of Residues	20
Details	binding site for residue 61T B 101

Chain	Residue
A	GLY443
A	ALA444
A	ASP470
A	ASP472
A	ARG481
A	GLN482
A	LYS494
A	LYS519
A	VAL520
A	PRO522
A	ALA542
A	LEU543
A	ASP544
A	ASN545
A	ASP547
A	ALA548
A	TYR551
A	SO41101
A	HOH1299
B	GLY76

site_id	AD4
Number of Residues	5
Details	binding site for residue SO4 C 1101

Chain	Residue
C	ARG21
C	ASN478
C	ARG481
C	HOH1289
C	HOH1306

site_id	AD5
Number of Residues	1
Details	binding site for residue CL C 1102

Chain	Residue
C	VAL117

site_id	AD6
Number of Residues	2
Details	binding site for residue GOL C 1104

Chain	Residue
C	GLU215
C	ALA714

site_id	AD7
Number of Residues	2
Details	binding site for residue GOL C 1105

Chain	Residue
C	ARG288
C	ASN344

site_id	AD8
Number of Residues	7
Details	binding site for residue GOL C 1106

Chain	Residue
C	LYS137
C	SER153
C	GLU155
C	ASN162
C	GLN297
C	TYR390
C	HOH1300

site_id	AD9
Number of Residues	6
Details	binding site for residue GOL C 1107

Chain	Residue
C	LEU737
C	ASN828
C	HIS829
C	HIS830
C	HOH1414
C	HOH1416

site_id	AE1
Number of Residues	4
Details	binding site for residue GOL C 1108

Chain	Residue
C	PHE821
C	LYS823
C	GLY860
C	HOH1387

site_id	AE2
Number of Residues	7
Details	binding site for residue GOL C 1109

Chain	Residue
C	VAL25
C	GLY27
C	GLY178
C	LYS381
C	GOL1111
C	HOH1364
C	TYR24

site_id	AE3
Number of Residues	2
Details	binding site for residue GOL C 1110

Chain	Residue
C	ARG861
D	ARG74

site_id	AE4
Number of Residues	4
Details	binding site for residue GOL C 1111

Chain	Residue
C	LYS28
C	GOL1109
C	HOH1303
C	HOH1388

site_id	AE5
Number of Residues	9
Details	binding site for residue GOL C 1112

Chain	Residue
C	ASP282
C	LYS285
C	ASP392
C	SER393
C	GLU395
C	LYS895
C	HOH1237
C	HOH1273
C	HOH1308

site_id	AE6
Number of Residues	22
Details	binding site for Di-peptide 61T D 101 and GLY D 76

Chain	Residue
C	GLY443
C	ALA444
C	ILE445
C	ASP470
C	ASP472
C	ARG481
C	GLN482
C	LYS494
C	LYS519
C	VAL520
C	GLY521
C	PRO522
C	ALA542
C	LEU543
C	ASP544
C	ASN545
C	ASP547
C	ALA548
C	TYR551
C	HOH1384
D	GLY75
D	HOH205

Functional Information from PROSITE/UniProt

site_id	PS00536
Number of Residues	9
Details	UBIQUITIN_ACTIVAT_1 Ubiquitin-activating enzyme signature 1. KACSGKFtP

Chain	Residue	Details
A	LYS376-PRO384

site_id	PS00865
Number of Residues	9
Details	UBIQUITIN_ACTIVAT_2 Ubiquitin-activating enzyme active site. PLCTLRsFP

Chain	Residue	Details
A	PRO598-PRO606

site_id	PS00299
Number of Residues	26
Details	UBIQUITIN_1 Ubiquitin domain signature. KskIqDkegIPpdqQrLIFaGkqleD

Chain	Residue	Details
B	LYS27-ASP52

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	14
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000250\|UniProtKB:P62979

Chain	Residue	Details
B	LYS29
B	LYS33
B	LYS48
B	LYS63
D	LYS6
D	LYS11
D	LYS27
D	LYS29
D	LYS33
D	LYS48
D	LYS63
B	LYS27
B	LYS6
B	LYS11

site_id	SWS_FT_FI2
Number of Residues	4
Details	CROSSLNK: Glycyl lysine isopeptide (Gly-Lys) (interchain with K-? in acceptor proteins) => ECO:0000255\|PROSITE-ProRule:PRU00214

Chain	Residue	Details
D	GLY76
A	ARG481
A	ASP544
C	ALA444
C	ASP470
C	ARG481
C	LYS494
C	ASP544
A	ALA444
B	GLY76

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: N-acetylserine => ECO:0007744\|PubMed:22814378

Chain	Residue	Details
A	SER2
C	SER2

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:17287358

Chain	Residue	Details
A	SER265
C	SER265

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:18407956

Chain	Residue	Details
A	SER914
C	SER914

site_id	SWS_FT_FI6
Number of Residues	6
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0007744\|PubMed:22106047

Chain	Residue	Details
A	LYS608
C	LYS595
C	LYS608
A	LYS595

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	8
Details	M-CSA 307

Chain	Residue	Details
A	ARG21	electrostatic stabiliser, hydrogen bond donor, steric role
A	ARG481	electrostatic stabiliser, hydrogen bond donor, steric role
A	ASP544	steric role
A	CYS600	activator, covalently attached, hydrogen bond donor, nucleophile, proton donor
A	THR601	hydrogen bond acceptor, hydrogen bond donor, increase acidity, increase nucleophilicity, proton acceptor, proton donor, proton relay
A	ARG603	electrostatic stabiliser, hydrogen bond donor
A	ASN781	electrostatic stabiliser, hydrogen bond donor
A	ASP782	electrostatic stabiliser, hydrogen bond donor

site_id	MCSA2
Number of Residues	5
Details	M-CSA 939

Chain	Residue	Details
A	CYS600	nucleofuge
A	THR601	modifies pKa
A	ARG603	electrostatic stabiliser
A	ASN781	electrostatic stabiliser
A	ASP782	electrostatic stabiliser

site_id	MCSA3
Number of Residues	8
Details	M-CSA 307

Chain	Residue	Details
C	ARG21	electrostatic stabiliser, hydrogen bond donor, steric role
C	ARG481	electrostatic stabiliser, hydrogen bond donor, steric role
C	ASP544	steric role
C	CYS600	activator, covalently attached, hydrogen bond donor, nucleophile, proton donor
C	THR601	hydrogen bond acceptor, hydrogen bond donor, increase acidity, increase nucleophilicity, proton acceptor, proton donor, proton relay
C	ARG603	electrostatic stabiliser, hydrogen bond donor
C	ASN781	electrostatic stabiliser, hydrogen bond donor
C	ASP782	electrostatic stabiliser, hydrogen bond donor

site_id	MCSA4
Number of Residues	5
Details	M-CSA 939

Chain	Residue	Details
C	CYS600	nucleofuge
C	THR601	modifies pKa
C	ARG603	electrostatic stabiliser
C	ASN781	electrostatic stabiliser
C	ASP782	electrostatic stabiliser

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