Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6Z6I

SARS-CoV-2 Macrodomain in complex with ADP-HPD

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	binding site for residue A1R A 401

Chain	Residue
A	ASP226
A	LEU330
A	SER332
A	ALA333
A	GLY334
A	ILE335
A	PHE336
A	ALA358
A	PHE360
A	A1R406
A	HOH520
A	ILE227
A	HOH521
A	HOH540
A	HOH547
A	HOH576
A	HOH578
A	HOH583
A	ALA242
A	ASN244
A	LYS248
A	GLY250
A	GLY251
A	VAL253
A	ALA254

site_id	AC2
Number of Residues	5
Details	binding site for residue EDO A 402

Chain	Residue
A	LEU279
A	LYS280
A	GLY283
A	SER284
A	HOH580

site_id	AC3
Number of Residues	7
Details	binding site for residue EDO A 403

Chain	Residue
A	GLY212
A	LYS223
A	ASN224
A	TYR365
A	HOH555
A	HOH560
A	HOH563

site_id	AC4
Number of Residues	9
Details	binding site for residue GOL A 404

Chain	Residue
A	ASN244
A	VAL245
A	VAL281
A	VAL300
A	GLY301
A	ASN303
A	LYS306
A	GLU308
A	PHE336

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 405

Chain	Residue
A	GLU318
A	ASP349
A	THR350
A	HOH513
B	MPO403

site_id	AC6
Number of Residues	12
Details	binding site for residue A1R A 406

Chain	Residue
A	ASP226
A	ILE335
A	PHE360
A	A1R401
A	HOH504
A	HOH516
A	HOH517
A	HOH528
B	ASN321
B	GLU324
B	ARG352
B	HOH505

site_id	AC7
Number of Residues	3
Details	binding site for residue NA A 407

Chain	Residue
A	ASN363
A	ASP366
A	HOH603

site_id	AC8
Number of Residues	2
Details	binding site for residue NA A 408

Chain	Residue
A	ASP339
A	ILE341

site_id	AC9
Number of Residues	30
Details	binding site for residue A1R B 401

Chain	Residue
B	ASP226
B	ILE227
B	ALA242
B	ASN244
B	LYS248
B	GLY250
B	GLY251
B	GLY252
B	VAL253
B	ALA254
B	LEU330
B	SER332
B	ALA333
B	GLY334
B	ILE335
B	PHE336
B	ALA358
B	PHE360
B	MPO403
B	HOH502
B	HOH517
B	HOH522
B	HOH526
B	HOH530
B	HOH531
B	HOH539
B	HOH541
B	HOH567
B	HOH572
B	HOH576

site_id	AD1
Number of Residues	3
Details	binding site for residue GOL B 402

Chain	Residue
B	GLY251
B	HOH517
B	GLY250

site_id	AD2
Number of Residues	11
Details	binding site for residue MPO B 403

Chain	Residue
A	ASN321
A	ARG352
A	THR353
A	EDO405
A	HOH552
B	ASP226
B	GLU229
B	PHE360
B	A1R401
B	HOH530
B	HOH571

site_id	AD3
Number of Residues	3
Details	binding site for residue EDO B 404

Chain	Residue
B	ASN276
B	HOH507
B	HOH590

site_id	AD4
Number of Residues	4
Details	binding site for residue NA B 405

Chain	Residue
B	ASN263
B	GLN266
B	HOH570
B	HOH622

site_id	AD5
Number of Residues	26
Details	binding site for residue A1R C 401

Chain	Residue
C	ASP226
C	ILE227
C	ALA242
C	ASN244
C	LYS248
C	GLY250
C	GLY251
C	VAL253
C	ALA254
C	LEU330
C	SER332
C	ALA333
C	GLY334
C	ILE335
C	PHE336
C	ALA358
C	PHE360
C	HOH551
C	HOH559
C	HOH560
C	HOH569
C	HOH573
C	HOH578
C	HOH590
C	HOH592
C	HOH613

site_id	AD6
Number of Residues	9
Details	binding site for residue GOL C 402

Chain	Residue
C	THR217
C	ASP218
C	ASN219
C	VAL348
C	GOL406
C	HOH502
C	HOH513
C	HOH577
C	HOH587

site_id	AD7
Number of Residues	7
Details	binding site for residue EDO C 403

Chain	Residue
C	HIS249
C	GLY250
C	GLY255
C	ASN258
C	LYS259
C	HOH516
C	HOH616

site_id	AD8
Number of Residues	4
Details	binding site for residue EDO C 404

Chain	Residue
C	TYR221
C	ASN354
C	HOH523
C	HOH524

site_id	AD9
Number of Residues	7
Details	binding site for residue EDO C 405

Chain	Residue
C	PHE210
C	SER211
C	GLY212
C	TYR213
C	TYR356
C	HOH526
C	HOH593

site_id	AE1
Number of Residues	7
Details	binding site for residue GOL C 406

Chain	Residue
C	ASN219
C	VAL348
C	ASP349
C	THR350
C	VAL351
C	ARG352
C	GOL402

site_id	AE2
Number of Residues	18
Details	binding site for residue A1R C 407

Chain	Residue
C	ASN321
C	GLU324
C	ARG352
C	THR353
C	HOH518
C	HOH547
C	HOH553
C	HOH582
C	HOH604
D	ASP226
D	GLU229
D	GLY252
D	GLY334
D	PHE360
D	A1R401
D	EDO408
D	HOH533
D	HOH538

site_id	AE3
Number of Residues	1
Details	binding site for residue NA C 408

Chain	Residue
C	ASN263

site_id	AE4
Number of Residues	2
Details	binding site for residue NA C 409

Chain	Residue
C	LEU279
C	LYS280

site_id	AE5
Number of Residues	3
Details	binding site for residue NA C 410

Chain	Residue
C	HIS342
C	ARG345
C	HOH528

site_id	AE6
Number of Residues	3
Details	binding site for residue NA C 411

Chain	Residue
C	GLY251
C	ILE335
C	HOH714

site_id	AE7
Number of Residues	25
Details	binding site for residue A1R D 401

Chain	Residue
C	A1R407
D	ASP226
D	ILE227
D	ALA242
D	ASN244
D	LYS248
D	GLY250
D	GLY251
D	VAL253
D	ALA254
D	LEU330
D	SER332
D	ALA333
D	GLY334
D	ILE335
D	PHE336
D	ALA358
D	PHE360
D	EDO404
D	HOH520
D	HOH531
D	HOH533
D	HOH546
D	HOH557
D	HOH602

site_id	AE8
Number of Residues	7
Details	binding site for residue GOL D 402

Chain	Residue
D	VAL286
D	LEU287
D	SER288
D	LYS294
D	HIS295
D	HOH522
D	HOH529

site_id	AE9
Number of Residues	4
Details	binding site for residue EDO D 403

Chain	Residue
D	HIS249
D	GLN266
D	HOH511
D	HOH575

site_id	AF1
Number of Residues	6
Details	binding site for residue EDO D 404

Chain	Residue
D	ASN244
D	LYS248
D	GLY250
D	ILE335
D	A1R401
D	NA410

site_id	AF2
Number of Residues	7
Details	binding site for residue EDO D 405

Chain	Residue
C	LYS362
D	VAL286
D	ASN319
D	GLN322
D	HIS323
D	HOH571
D	HOH576

site_id	AF3
Number of Residues	5
Details	binding site for residue EDO D 406

Chain	Residue
C	GLU229
C	HOH609
D	ASN321
D	ARG352
D	HOH508

site_id	AF4
Number of Residues	3
Details	binding site for residue EDO D 407

Chain	Residue
D	PRO340
D	HOH515
D	HOH516

site_id	AF5
Number of Residues	1
Details	binding site for residue EDO D 408

Chain	Residue
C	A1R407

site_id	AF6
Number of Residues	2
Details	binding site for residue NA D 409

Chain	Residue
D	THR237
D	VAL325

site_id	AF7
Number of Residues	2
Details	binding site for residue NA D 410

Chain	Residue
D	EDO404
D	HOH510

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