2020-12-16
REL
RCSB
RCSB
RCSB
2020-10-29
2020-11-11
2020-11-11
2020-12-16
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
P01-AI13893
United States
Structure of the SARS-CoV-2 S 6P trimer in complex with the ACE2 protein decoy, CTC-445.2 (State 1)
Barnes CO
Bjorkman PJ
Linsky TW
Vergara R
Codina N
Nelson JW
Walker MJ
Su W
Barnes CO
Hsiang TY
Esser-Nobis K
Yu K
Reneer ZB
Hou YJ
Priya T
Mitsumoto M
Pong A
Lau UY
Mason ML
Chen J
Chen A
Berrocal T
Peng H
Clairmont NS
Castellanos J
Lin YR
Josephson-Day A
Baric RS
Fuller DH
Walkey CD
Ross TM
Swanson R
Bjorkman PJ
Gale Jr M
Blancas-Mejia LM
Yen HL
Silva DA
De novo design of potent and resilient hACE2 decoys to neutralize SARS-CoV-2.
Science
US
370
1208
1214
2020
33154107
doi:10.1126/science.abe0075
1095-9203
0038
SCIEAS
EMD-22913
associated EM volume
Ternary complex of CTC445.2 inhibitor with SARS-CoV-2 S 6P glycoprotin
Ternary complex of CTC445.2 inhibitor with SARS-CoV-2 S 6P glycoprotin
0
1
2
.6
Spike glycoprotein
1
1
Severe acute respiratory syndrome coronavirus 2
Homo sapiens
CTC-445.2 inhibitor
1
2
Homo sapiens
Escherichia coli 'BL21-Gold(DE3)pLysS AG'
SARS-CoV-2 6P stabilized spike glycoprotein
Severe acute respiratory syndrome coronavirus 2
Homo sapiens
LEVO
MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFS
NVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIV
NNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLE
GKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQT
LLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETK
CTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISN
CVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIAD
YNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPC
NGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVN
FNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITP
GTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSY
ECDIPIGAGICASYQTQTNSPGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTI
SVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQE
VFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDC
LGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPM
QMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAQALN
TLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRA
SANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPA
ICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDP
LQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDL
QELGKYEQGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGRSLEVLFQGPGHHHHHHHH
CTC-445.2 inhibitor
Homo sapiens
Escherichia coli 'BL21-Gold(DE3)pLysS AG'
LEVO
SAEIDLGKGDFREIRASEDAREAAEALAEAARAMKEALEIIREIAEKLRDSSRASEAAKRIAKAIRKAAD
AIAEAAKIAARAAKDGDAARNAENAARKAKEFAEEQAKLADMYAELAKNGDKSSVLEQLKTFADKAFHEM
EDRFYQAALAVFEAAEAAAG
singleParticle
particle
3.0
8.0
0.02
Tris-HCL
Tris
0.12
NaCl
Sodium Chloride
UltrAuFoil R1.2/1.3
GOLD
300
GLOW DISCHARGE
AIR
0.2 mA
ETHANE
100
295
FEI VITROBOT MARK IV
3s blot, 0 blot force.
Monodisperse sample
FEI TALOS ARCTICA
FLOOD BEAM
BRIGHT FIELD
FIELD EMISSION GUN
200
50.0
2.7
0.8
2.0
45000.0
FEI TITAN KRIOS AUTOGRID HOLDER
NITROGEN
3x3 beam tilt collection
GATAN K3 BIOQUANTUM (6k x 4k)
1
2250
3.6
60.0
1
420998
1
C1
3.9
FSC 0.143 CUT-OFF
cryoSPARC
v2.14
39795
MAXIMUM LIKELIHOOD
MAXIMUM LIKELIHOOD
4
cryoSPARC
v2.14