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Summary Geometry PCM/PTM Related PDB entries

A1BWE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.22Å
C4	C1	sing	1.51Å	1.51Å
C4	C3	sing	1.54Å	1.52Å
C1	N1	sing	1.34Å	1.38Å
C3	C2	sing	1.51Å	1.50Å
N1	C2	sing	1.34Å	1.38Å
N1	C5	sing	1.46Å	1.47Å
C2	O2	doub	1.21Å	1.23Å
C6	O3	sing	1.43Å	1.42Å
C6	C5	sing	1.53Å	1.51Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
O3	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C4	129.1°	125.4°
O1	C1	N1	124.5°	125.4°
C1	C4	C3	103.7°	103.6°
C4	C1	N1	106.4°	109.2°
C1	C4	H1	110.9°	110.6°
C1	C4	H2	110.9°	110.6°
C4	C3	C2	100.4°	103.6°
C3	C4	H1	110.9°	110.4°
C3	C4	H2	110.9°	110.8°
C4	C3	H7	111.7°	110.6°
C4	C3	H8	111.7°	110.6°
C1	N1	C2	108.0°	114.5°
C1	N1	C5	125.8°	122.8°
C3	C2	N1	103.8°	109.2°
C3	C2	O2	129.8°	125.4°
C2	C3	H7	111.7°	110.9°
C2	C3	H8	111.7°	110.2°
C2	N1	C5	125.9°	122.8°
N1	C2	O2	125.7°	125.4°
N1	C5	C6	112.3°	109.5°
N1	C5	H3	108.7°	109.5°
N1	C5	H4	108.8°	109.5°
O3	C6	C5	112.2°	109.5°
O3	C6	H5	108.8°	109.5°
O3	C6	H6	108.8°	109.5°
C6	O3	H9	109.5°	113.9°
C6	C5	H3	108.7°	109.4°
C6	C5	H4	108.7°	109.5°
C5	C6	H5	108.8°	109.4°
C5	C6	H6	108.8°	109.4°
H1	C4	H2	109.4°	110.6°
H3	C5	H4	109.5°	109.5°
H5	C6	H6	109.5°	109.4°
H7	C3	H8	109.5°	110.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C4	N1	178.2°	180.0°
O1	C1	C4	C3	179.6°	179.7°
O1	C1	N1	C2	153.3°	180.0°
O1	C1	N1	C5	31.9°	0.3°
O1	C1	C4	H1	60.6°	61.5°
O1	C1	C4	H2	61.3°	61.5°
C1	C4	C3	H1	119.1°	118.4°
C1	C4	C3	H2	119.1°	118.7°
C1	C4	C3	C2	24.3°	0.4°
C4	C1	N1	C2	25.0°	0.0°
C4	C1	N1	C5	149.8°	179.7°
C1	C4	H1	H2	122.7°	122.9°
C1	C4	C3	H7	142.8°	118.5°
C1	C4	C3	H8	94.2°	118.5°
C3	C4	C1	N1	1.4°	0.3°
C4	C3	C2	H7	118.5°	118.7°
C4	C3	C2	H8	118.5°	118.4°
C4	C3	C2	N1	39.8°	0.4°
C4	C3	C2	O2	131.1°	179.6°
C3	C4	H1	H2	122.7°	123.0°
C4	C3	H7	H8	124.2°	122.9°
C1	N1	C2	C3	41.7°	0.3°
C1	N1	C2	C5	174.8°	179.7°
C1	N1	C2	O2	129.7°	179.7°
C1	N1	C5	C6	89.2°	89.7°
N1	C1	C4	H1	117.7°	118.5°
N1	C1	C4	H2	120.5°	118.6°
C1	N1	C5	H3	150.4°	30.3°
C1	N1	C5	H4	31.2°	150.3°
C3	C2	N1	O2	171.4°	180.0°
C3	C2	N1	C5	133.1°	180.0°
C2	C3	C4	H1	94.8°	118.8°
C2	C3	C4	H2	143.4°	118.3°
C2	C3	H7	H8	124.2°	122.7°
C2	N1	C5	C6	96.9°	90.0°
C2	N1	C5	H3	23.5°	150.0°
C2	N1	C5	H4	142.7°	30.0°
N1	C2	C3	H7	158.4°	118.3°
N1	C2	C3	H8	78.7°	118.8°
C5	N1	C2	O2	55.5°	0.0°
N1	C5	C6	O3	54.7°	65.0°
N1	C5	C6	H3	120.4°	120.0°
N1	C5	C6	H4	120.4°	120.0°
N1	C5	H3	H4	118.7°	120.0°
N1	C5	C6	H5	65.7°	175.0°
N1	C5	C6	H6	175.1°	55.1°
O2	C2	C3	H7	12.6°	61.7°
O2	C2	C3	H8	110.4°	61.2°
O3	C6	C5	H5	120.4°	120.0°
O3	C6	C5	H6	120.4°	120.1°
O3	C6	C5	H3	65.7°	55.0°
O3	C6	C5	H4	175.1°	175.0°
O3	C6	H5	H6	118.8°	120.1°
C6	C5	H3	H4	118.7°	120.0°
C5	C6	H5	H6	118.8°	119.9°
C5	C6	O3	H9	180.0°	180.0°
H1	C4	C3	H7	23.7°	0.1°
H1	C4	C3	H8	146.7°	123.1°
H2	C4	C3	H7	98.1°	122.8°
H2	C4	C3	H8	24.9°	0.2°
H3	C5	C6	H5	173.9°	65.0°
H3	C5	C6	H6	54.7°	175.1°
H4	C5	C6	H5	54.8°	55.0°
H4	C5	C6	H6	64.4°	64.9°
H5	C6	O3	H9	59.6°	60.0°
H6	C6	O3	H9	59.6°	60.0°

258009

PDB entries from 2026-08-12

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