Summary Geometry PCM/PTM Related PDB entries

FYT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
RE	C2	sing	0.00Å	1.95Å
RE	C3	sing	0.00Å	1.94Å
RE	C1	sing	0.00Å	1.93Å
RE	N1	sing	0.00Å	2.16Å
RE	N10	sing	0.00Å	2.15Å
O1	C1	trip	0.00Å	1.14Å
O2	C2	trip	0.00Å	1.15Å
O3	C3	trip	0.00Å	1.12Å
N1	C21	doub	0.00Å	1.33Å	Aromatic
N1	C1A	sing	0.00Å	1.37Å	Aromatic
C21	C31	sing	0.00Å	1.41Å	Aromatic
C31	C4	doub	0.00Å	1.35Å	Aromatic
C4	C4A	sing	0.00Å	1.42Å	Aromatic
C4	C11	sing	0.00Å	1.46Å
C4A	C1A	doub	0.00Å	1.41Å	Aromatic
C4A	C5	sing	0.00Å	1.45Å	Aromatic
C5	C6	doub	0.00Å	1.35Å	Aromatic
C6	C6A	sing	0.00Å	1.44Å	Aromatic
C6A	C7	doub	0.00Å	1.40Å	Aromatic
C6A	C10	sing	0.00Å	1.41Å	Aromatic
C7	C8	sing	0.00Å	1.37Å	Aromatic
C7	C12	sing	0.00Å	1.46Å
C8	C9	doub	0.00Å	1.41Å	Aromatic
C9	N10	sing	0.00Å	1.34Å	Aromatic
N10	C10	doub	0.00Å	1.37Å	Aromatic
C10	C1A	sing	0.00Å	1.44Å	Aromatic
C21	H10	sing	0.00Å	1.08Å
C31	H11	sing	0.00Å	1.08Å
C5	H12	sing	0.00Å	1.08Å
C6	H13	sing	0.00Å	1.08Å
C8	H14	sing	0.00Å	1.08Å
C9	H15	sing	0.00Å	1.08Å
C11	H16	sing	0.00Å	1.10Å
C11	H17	sing	0.00Å	1.10Å
C11	H18	sing	0.00Å	1.10Å
C12	H19	sing	0.00Å	1.10Å
C12	H20	sing	0.00Å	1.10Å
C12	H21	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	RE	C3	87.8°	90.0°
C2	RE	C1	89.3°	90.0°
C2	RE	N1	170.8°	90.0°
C2	RE	N10	95.8°	90.0°
RE	C2	O2	179.1°	90.0°
C3	RE	C1	86.4°	90.0°
C3	RE	N1	99.6°	90.0°
C3	RE	N10	176.3°	90.0°
RE	C3	O3	179.8°	90.0°
C1	RE	N1	96.6°	90.0°
C1	RE	N10	94.4°	90.0°
RE	C1	O1	179.9°	90.0°
N1	RE	N10	76.7°	90.0°
RE	N1	C21	127.2°	90.0°
RE	N1	C1A	114.4°	90.0°
RE	N10	C9	127.8°	90.0°
RE	N10	C10	114.9°	90.0°
C21	N1	C1A	118.4°	90.0°
N1	C21	C31	122.6°	90.0°
N1	C21	H10	118.7°	90.0°
N1	C1A	C4A	122.4°	90.0°
N1	C1A	C10	117.3°	90.0°
C21	C31	C4	119.5°	90.0°
C31	C21	H10	118.7°	90.0°
C21	C31	H11	120.3°	90.0°
C31	C4	C4A	120.4°	90.0°
C31	C4	C11	118.3°	90.0°
C4	C31	H11	120.3°	90.0°
C4A	C4	C11	121.3°	90.0°
C4	C4A	C1A	116.6°	90.0°
C4	C4A	C5	125.7°	90.0°
C4	C11	H16	109.5°	90.0°
C4	C11	H17	109.5°	90.0°
C4	C11	H18	109.4°	90.0°
C1A	C4A	C5	117.7°	90.0°
C4A	C1A	C10	120.3°	90.0°
C4A	C5	C6	121.8°	90.0°
C4A	C5	H12	119.1°	90.0°
C5	C6	C6A	121.4°	90.0°
C6	C5	H12	119.1°	90.0°
C5	C6	H13	119.3°	90.0°
C6	C6A	C7	124.3°	90.0°
C6	C6A	C10	118.4°	90.0°
C6A	C6	H13	119.3°	90.0°
C7	C6A	C10	117.4°	90.0°
C6A	C7	C8	120.5°	90.0°
C6A	C7	C12	121.2°	90.0°
C6A	C10	N10	122.9°	90.0°
C6A	C10	C1A	120.5°	90.0°
C8	C7	C12	118.3°	90.0°
C7	C8	C9	118.6°	90.0°
C7	C8	H14	120.7°	90.0°
C7	C12	H19	109.5°	90.0°
C7	C12	H20	109.5°	90.0°
C7	C12	H21	109.5°	90.0°
C8	C9	N10	123.4°	90.0°
C9	C8	H14	120.7°	90.0°
C8	C9	H15	118.3°	90.0°
C9	N10	C10	117.2°	90.0°
N10	C9	H15	118.3°	90.0°
N10	C10	C1A	116.6°	90.0°
H16	C11	H17	109.5°	90.0°
H16	C11	H18	109.5°	90.0°
H17	C11	H18	109.5°	90.0°
H19	C12	H20	109.5°	90.0°
H19	C12	H21	109.5°	90.0°
H20	C12	H21	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	RE	C3	C1	89.4°	90.0°
C2	RE	C3	N1	174.5°	90.0°
C2	RE	C3	N10	167.9°	90.0°
C2	RE	C1	N1	172.9°	90.0°
C2	RE	C1	N10	95.7°	90.0°
C2	RE	N1	N10	36.2°	90.0°
C2	RE	C1	O1	40.0°	90.0°
C2	RE	C3	O3	161.4°	90.0°
C2	RE	N1	C21	143.8°	90.0°
C2	RE	N1	C1A	37.3°	90.0°
C2	RE	N10	C9	5.2°	90.0°
C2	RE	N10	C10	175.8°	90.0°
C3	RE	C1	N1	99.3°	90.0°
C3	RE	C1	N10	176.4°	90.0°
C3	RE	N1	N10	179.6°	90.0°
C3	RE	C1	O1	47.8°	90.0°
C3	RE	C2	O2	99.9°	90.0°
C3	RE	N1	C21	0.4°	90.0°
C3	RE	N1	C1A	179.3°	90.0°
C3	RE	N10	C9	173.0°	90.0°
C3	RE	N10	C10	8.0°	90.0°
C1	RE	N1	N10	93.0°	90.0°
C1	RE	C2	O2	13.4°	90.0°
C1	RE	C3	O3	109.2°	90.0°
C1	RE	N1	C21	87.1°	90.0°
C1	RE	N1	C1A	91.8°	90.0°
C1	RE	N10	C9	84.5°	90.0°
C1	RE	N10	C10	94.5°	90.0°
N1	RE	C1	O1	147.1°	90.0°
N1	RE	C2	O2	116.1°	90.0°
N1	RE	C3	O3	13.2°	90.0°
RE	N1	C21	C1A	178.9°	90.0°
RE	N1	C21	C31	179.3°	90.0°
RE	N1	C1A	C4A	179.3°	90.0°
N1	RE	N10	C9	179.7°	90.0°
N1	RE	N10	C10	1.3°	90.0°
RE	N1	C1A	C10	0.9°	90.0°
RE	N1	C21	H10	0.8°	90.0°
N10	RE	C1	O1	135.7°	90.0°
N10	RE	C2	O2	80.9°	90.0°
N10	RE	C3	O3	6.5°	90.0°
N10	RE	N1	C21	179.9°	90.0°
N10	RE	N1	C1A	1.2°	90.0°
RE	N10	C10	C6A	179.0°	90.0°
RE	N10	C9	C8	178.5°	90.0°
RE	N10	C9	C10	179.0°	90.0°
RE	N10	C10	C1A	1.2°	90.0°
RE	N10	C9	H15	1.5°	90.0°
N1	C21	C31	H10	180.0°	90.0°
N1	C21	C31	C4	0.4°	90.0°
C21	N1	C1A	C4A	0.3°	90.0°
C21	N1	C1A	C10	179.9°	90.0°
N1	C21	C31	H11	179.6°	90.0°
C1A	N1	C21	C31	0.4°	90.0°
N1	C1A	C4A	C4	0.3°	90.0°
N1	C1A	C4A	C10	179.7°	90.0°
N1	C1A	C4A	C5	179.9°	90.0°
N1	C1A	C10	C6A	180.0°	90.0°
N1	C1A	C10	N10	0.2°	90.0°
C1A	N1	C21	H10	179.6°	90.0°
C21	C31	C4	H11	180.0°	90.0°
C21	C31	C4	C4A	0.4°	90.0°
C21	C31	C4	C11	178.9°	90.0°
C31	C4	C4A	C11	178.5°	90.0°
C31	C4	C4A	C1A	0.3°	90.0°
C31	C4	C4A	C5	179.9°	90.0°
C4	C31	C21	H10	179.6°	90.0°
C31	C4	C11	H16	180.0°	90.0°
C31	C4	C11	H17	60.0°	90.0°
C31	C4	C11	H18	60.0°	90.0°
C4	C4A	C1A	C5	179.7°	90.0°
C4	C4A	C5	C6	179.8°	90.0°
C4	C4A	C1A	C10	180.0°	90.0°
C4A	C4	C31	H11	179.6°	90.0°
C4	C4A	C5	H12	0.3°	90.0°
C4A	C4	C11	H16	1.4°	90.0°
C4A	C4	C11	H17	121.5°	90.0°
C4A	C4	C11	H18	118.5°	90.0°
C11	C4	C4A	C1A	178.8°	90.0°
C11	C4	C4A	C5	1.6°	90.0°
C11	C4	C31	H11	1.1°	90.0°
C4	C11	H16	H17	120.0°	90.0°
C4	C11	H16	H18	120.0°	90.0°
C4	C11	H17	H18	120.0°	90.0°
C1A	C4A	C5	C6	0.1°	90.0°
C4A	C1A	C10	C6A	0.3°	90.0°
C4A	C1A	C10	N10	179.6°	90.0°
C1A	C4A	C5	H12	179.9°	90.0°
C4A	C5	C6	H12	180.0°	90.0°
C4A	C5	C6	C6A	0.1°	90.0°
C5	C4A	C1A	C10	0.3°	90.0°
C4A	C5	C6	H13	179.9°	90.0°
C5	C6	C6A	H13	180.0°	90.0°
C5	C6	C6A	C7	179.9°	90.0°
C5	C6	C6A	C10	0.2°	90.0°
C6	C6A	C7	C10	180.0°	90.0°
C6	C6A	C7	C8	179.7°	90.0°
C6	C6A	C7	C12	1.1°	90.0°
C6	C6A	C10	N10	179.8°	90.0°
C6	C6A	C10	C1A	0.0°	90.0°
C6A	C6	C5	H12	179.9°	90.0°
C6A	C7	C8	C12	179.2°	90.0°
C6A	C7	C8	C9	0.1°	90.0°
C7	C6A	C10	N10	0.3°	90.0°
C7	C6A	C10	C1A	179.9°	90.0°
C7	C6A	C6	H13	0.1°	90.0°
C6A	C7	C8	H14	180.0°	90.0°
C6A	C7	C12	H19	180.0°	90.0°
C6A	C7	C12	H20	60.0°	90.0°
C6A	C7	C12	H21	60.0°	90.0°
C10	C6A	C7	C8	0.4°	90.0°
C10	C6A	C7	C12	178.8°	90.0°
C6A	C10	N10	C9	0.1°	90.0°
C6A	C10	N10	C1A	179.8°	90.0°
C10	C6A	C6	H13	179.8°	90.0°
C7	C8	C9	H14	180.0°	90.0°
C7	C8	C9	N10	0.4°	90.0°
C7	C8	C9	H15	179.6°	90.0°
C8	C7	C12	H19	0.8°	90.0°
C8	C7	C12	H20	119.2°	90.0°
C8	C7	C12	H21	120.8°	90.0°
C12	C7	C8	C9	179.2°	90.0°
C12	C7	C8	H14	0.8°	90.0°
C7	C12	H19	H20	120.0°	90.0°
C7	C12	H19	H21	120.0°	90.0°
C7	C12	H20	H21	120.0°	90.0°
C8	C9	N10	H15	180.0°	90.0°
C8	C9	N10	C10	0.5°	90.0°
C9	N10	C10	C1A	179.7°	90.0°
N10	C9	C8	H14	179.6°	90.0°
C10	N10	C9	H15	179.5°	90.0°
H10	C21	C31	H11	0.4°	90.0°
H12	C5	C6	H13	0.2°	90.0°
H14	C8	C9	H15	0.4°	90.0°
H16	C11	H17	H18	120.0°	90.0°
H19	C12	H20	H21	120.0°	90.0°

Release date:	2026-08-12
Definition date:	2026-04-20
Last modified:	2026-08-07
Release status:	REL
Processing site:	RCSB
Derived from:	1I53