Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T68470 Target Info
Target Name Deubiquitinating enzyme 1 (USP1)
Synonyms hUBP; Ubiquitin-specific-processing protease 1; Ubiquitin thioesterase 1; Ubiquitin carboxyl-terminal hydrolase 1
Target Type Literature-reported Target
Gene Name USP1
Biochemical Class Peptidase
UniProt ID
UBP1_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: ML323 Ligand Info
Structure Description USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (focused refinement) PDB:7ZH4
Method Electron microscopy Resolution 2.49 Å Mutation Yes [1]
PDB Sequence
GLNNLGNTSY
91
LNSILQVLYF
101
CPGFKSGVKH
111
LFNIISRKKY
143
ELICSLQSLI
153

ISVEQLQASF
163
LLNPLQHDAQ
201
EVLQCILGNI
211
QETCQLLKKG
422
FELVEKLFQG
432

QLVLRTRCLE
442
CESLTERRED
452
FQDISVPVQE
462
DMKTLRWAIS
490
QFASVERIVG
500

EDKYFCENCH
510
HYTEAERSLL
520
FDKMPEVITI
530
HLKCFAASGL
549
SKINTPLLTP
559

LKLSLEEWST
569
KPTNDSYGLF
579
AVVMHSGITI
589
SSGHYTASVK
599
VTYEGKWLLF
750

DDSEVKVTEE
760
KDFLNSLSPS
770
TSPTSTPYLL
780
FYKKL
Residue
Distance (Å)
LEU86
4.592
ASN93
3.733
LEU96
3.386
GLN97
2.799
TYR100
3.681
PHE101
4.243
LEU152
4.076
VAL156
3.596
LEU159
3.733
GLN160
3.055
Residue
Distance (Å)
PHE163
3.485
LEU164
4.280
VAL600
4.309
TYR743
4.183
LEU748
3.433
PHE750
3.695
ASP752
3.798
SER753
3.200
GLU754
4.444
VAL755
3.546
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Allylamine Ligand Info
Structure Description Crystal structure of truncated USP1-UAF1 reacted with ubiquitin-prg PDB:7AY2
Method X-ray diffraction Resolution 3.20 Å Mutation No [2]
PDB Sequence
ENLLPFVGLN
84
NLGNTCYLNS
94
ILQVLYFCPG
104
FKSGVKHLFN
114
IISRKKLASY
143

ELICSLQSLI
153
ISVEQLQASF
163
LLNPEKYTDE
173
LATQPRRLLN
183
TLRELNPMYE
193

GYLQHDAQEV
203
LQCILGNIQE
213
TCQLLKKEEV
223
KNIGFELVEK
428
LFQGQLVLRT
438

RCLECESLTE
448
RREDFQDISV
458
PVQEDEMKTL
485
RWAISQFASV
495
ERIVGEDKYF
505

CENCHHYTEA
515
ERSLLFDKMP
525
EVITIHLKCF
535
AASGLGGLSK
551
INTPLLTPLK
561

LSLEEWSTKP
571
TNDSYGLFAV
581
VMHSGITISS
591
GHYTASVKVT
601
DEQSLKEYEG
745

KWLLFDDSEV
755
KVTEEKDFLN
765
SLSPPTSTPY
778
LLFYKKL
Residue
Distance (Å)
ASN85
3.956
ASN88
3.505
THR89
4.135
CYS90
1.766
TYR91
4.496
GLN197
3.138
Residue
Distance (Å)
HIS198
4.961
GLY592
3.112
HIS593
3.890
TYR594
4.722
ASP752
4.914
References  Top
REF 1 Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site. Sci Adv. 2022 Sep 30;8(39):eabq6353.
REF 2 Structural basis of FANCD2 deubiquitination by USP1-UAF1. Nat Struct Mol Biol. 2021 Apr;28(4):356-364.

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