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6F9R

Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp.

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, BAngiotensin-converting enzymepolymer62972592.52UniProt (P12821)
Pfam (PF01401)
In PDB
Homo sapiens (Human)ACE,Dipeptidyl carboxypeptidase I,Kininase II
2Calpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranosebranched367.31In PDB
GlyTouCan (G86851RC)
3D, Gbeta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranosebranched732.72In PDB
GlyTouCan (G32152BH)
4E, F2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranosebranched424.42In PDB
GlyTouCan (G42666HT)
5H2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranosebranched570.51In PDB
GlyTouCan (G21290RB)
6A, BZINC IONnon-polymer65.42Chemie (ZN)
7A, BSampatrilat-Aspnon-polymer535.52Chemie (D0W)
8A, BCHLORIDE IONnon-polymer35.52Chemie (CL)
9A, BDI(HYDROXYETHYL)ETHERnon-polymer106.13Chemie (PEG)
10ATETRAETHYLENE GLYCOLnon-polymer194.21Chemie (PG4)
11A, BMAGNESIUM IONnon-polymer24.33Chemie (MG)
12B, A1,2-ETHANEDIOLnon-polymer62.15Chemie (EDO)
13AACETATE IONnon-polymer59.02Chemie (ACT)
14B3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOLnon-polymer370.41Chemie (PE8)
15waterwater18.0739Chemie (HOH)
Sequence modifications
A, B: 1 - 628 (UniProt: P12821)
PDBExternal DatabaseDetails
Gln 9Asn 38conflict
Gln 25Asn 54conflict
Gln 82Asn 111conflict
Gln 117Asn 146conflict
Gln 289Asn 318conflict
Arg 545Gln 574conflict
Leu 576Pro 605conflict
Leu 629-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight145185.0
BranchedNumber of molecules6
Total formula weight3252.1
Non-Polymers*Number of molecules21
Total formula weight2657.2
All*Total formula weight151094.2
*Water molecules are not included.

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PDB entries from 2024-06-12

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