Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1TAE

Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003911	molecular_function	DNA ligase (NAD+) activity
B	0003911	molecular_function	DNA ligase (NAD+) activity
C	0003911	molecular_function	DNA ligase (NAD+) activity
D	0003911	molecular_function	DNA ligase (NAD+) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 405

Chain	Residue
A	TYR30
A	LEU124
A	ALA125
A	ARG141
A	ARG202
A	HOH416
A	HOH453

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 406

Chain	Residue
A	ARG129
A	ARG137
A	LYS79
A	PRO81

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 407

Chain	Residue
A	ARG190
A	PHE198
A	ARG220

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 408

Chain	Residue
A	PRO81
A	HIS82
A	ASP83
A	SER127
A	ARG129
A	ARG137
A	GLU171
A	ARG173
A	HOH415

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 409

Chain	Residue
A	SER26
A	TYR30
A	TYR42
A	ARG68
A	LYS306
A	NAD401
A	HOH413
A	HOH422

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 410

Chain	Residue
C	THR304
C	ARG309
C	HOH445

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 411

Chain	Residue
A	ARG14
B	TRP268
B	HIS275
B	TYR314

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 B 412

Chain	Residue
B	TYR30
B	LEU124
B	ALA125
B	ARG141
B	ARG202
B	HOH537
B	HOH566
B	HOH575
B	HOH581

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 413

Chain	Residue
B	ARG129
B	ARG137
B	HOH561
B	HOH577

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 415

Chain	Residue
B	HIS82
B	ASP83
B	SER127
B	ARG129
B	ARG137
B	GLU171
B	ARG173
B	HOH555

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 417

Chain	Residue
A	HOH426
B	TYR177
B	PRO179
B	ASN223
B	ARG253

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 418

Chain	Residue
B	THR304
B	ARG309

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 419

Chain	Residue
A	TRP268
A	GLU272
A	HIS275
A	TYR314
B	ARG14
B	GLN21

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 420

Chain	Residue
B	VAL160
B	PRO161
B	MET162
B	ARG163

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 C 421

Chain	Residue
C	TYR30
C	LEU124
C	ALA125
C	ARG141
C	ARG202
C	HOH434
C	HOH457

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 422

Chain	Residue
C	PRO81
C	ARG129
C	ARG137

site_id	BC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 C 423

Chain	Residue
C	HIS82
C	ASP83
C	SER127
C	ARG129
C	ARG137
C	GLU171
C	ARG173
C	HOH430

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 424

Chain	Residue
C	TRP268
C	GLU272
C	HIS275
C	TYR314

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 D 425

Chain	Residue
D	LEU124
D	ALA125
D	ARG141
D	ARG202
D	HOH537
D	HOH570
D	TYR30

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 426

Chain	Residue
D	ARG129
D	ARG137

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 427

Chain	Residue
D	ARG190
D	ARG220

site_id	CC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 D 428

Chain	Residue
D	PRO81
D	HIS82
D	ASP83
D	SER127
D	ARG129
D	ARG137
D	GLU171
D	ARG173
D	HOH556

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 429

Chain	Residue
D	THR304
D	ARG309

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 430

Chain	Residue
D	HIS275
D	TYR314
D	HOH552

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA B 531

Chain	Residue
B	GLU38
B	ASP39
B	ASN200

site_id	CC8
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD A 401

Chain	Residue
A	TYR25
A	TYR29
A	TYR30
A	VAL37
A	GLU38
A	ASP39
A	TYR42
A	ASP43
A	SER88
A	LEU89
A	ASP91
A	GLU118
A	LEU119
A	LYS120
A	ILE121
A	ALA125
A	ARG141
A	GLU175
A	TYR227
A	VAL289
A	LYS291
A	LYS315
A	SO4409
A	HOH413
A	HOH416

site_id	CC9
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD B 402

Chain	Residue
B	TYR25
B	SER26
B	TYR29
B	TYR30
B	VAL37
B	ASP39
B	TYR42
B	ASP43
B	TYR87
B	SER88
B	LEU89
B	ASP91
B	GLU118
B	LEU119
B	LYS120
B	ILE121
B	ALA125
B	ARG141
B	GLU175
B	TYR227
B	VAL289
B	LYS291
B	LYS315
B	HOH537
B	HOH543

site_id	DC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAD C 403

Chain	Residue
C	SER26
C	TYR29
C	TYR30
C	VAL37
C	GLU38
C	ASP39
C	TYR42
C	ASP43
C	SER88
C	LEU89
C	ASP91
C	GLU118
C	LEU119
C	LYS120
C	ILE121
C	ALA125
C	ARG141
C	GLU175
C	TYR227
C	VAL289
C	LYS291
C	LYS315
C	HOH425
C	HOH457

site_id	DC2
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAD D 404

Chain	Residue
D	TYR25
D	TYR29
D	TYR30
D	VAL37
D	ASP39
D	TYR42
D	ASP43
D	TYR87
D	SER88
D	LEU89
D	ASP91
D	GLU118
D	LEU119
D	LYS120
D	ILE121
D	ALA125
D	ARG141
D	GLU175
D	TYR227
D	LYS291
D	LYS315
D	HOH534
D	HOH537
D	HOH545

Functional Information from PROSITE/UniProt

site_id	PS01055
Number of Residues	30
Details	DNA_LIGASE_N1 NAD-dependent DNA ligase signature 1. KIDGLAislrYenGvFvrgaTRGDGtvGEN

Chain	Residue	Details
A	LYS120-ASN149

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"N6-AMP-lysine intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	48
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15296738","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1b04

Chain	Residue	Details
A	LYS120

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1b04

Chain	Residue	Details
B	LYS120

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 1b04

Chain	Residue	Details
C	LYS120

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1b04

Chain	Residue	Details
D	LYS120

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1b04

Chain	Residue	Details
A	LYS120
A	LYS315
A	ASP122
A	ARG202

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1b04

Chain	Residue	Details
B	LYS120
B	LYS315
B	ASP122
B	ARG202

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1b04

Chain	Residue	Details
C	LYS120
C	LYS315
C	ASP122
C	ARG202

site_id	CSA8
Number of Residues	4
Details	Annotated By Reference To The Literature 1b04

Chain	Residue	Details
D	LYS120
D	LYS315
D	ASP122
D	ARG202

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