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Summary Geometry Related PDB entries

MTG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C1	doub	1.22Å	1.23Å
O6	C1	sing	1.22Å	1.24Å
C1	C2	sing	1.51Å	1.51Å
C2	S3	sing	1.81Å	1.81Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.11Å
S3	C4	sing	1.81Å	1.77Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
C4	H43	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C1	O6	123.9°	120.0°
O5	C1	C2	117.2°	120.0°
O6	C1	C2	118.9°	120.0°
C1	C2	S3	109.9°	109.4°
C1	C2	H21	112.1°	109.5°
C1	C2	H22	112.1°	109.5°
S3	C2	H21	112.0°	109.4°
S3	C2	H22	112.1°	109.4°
C2	S3	C4	94.0°	100.0°
H21	C2	H22	98.4°	109.5°
S3	C4	H41	94.0°	109.5°
S3	C4	H42	118.3°	109.5°
S3	C4	H43	118.3°	109.5°
H41	C4	H42	118.3°	109.5°
H41	C4	H43	118.3°	109.5°
H42	C4	H43	92.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C1	O6	C2	179.3°	180.0°
O5	C1	C2	S3	152.9°	0.0°
O5	C1	C2	H21	27.6°	120.0°
O5	C1	C2	H22	81.9°	120.0°
O6	C1	C2	S3	26.5°	180.0°
O6	C1	C2	H21	151.7°	60.0°
O6	C1	C2	H22	98.8°	60.0°
C1	C2	S3	H21	125.2°	120.0°
C1	C2	S3	H22	125.3°	120.0°
C1	C2	H21	H22	118.0°	120.1°
C1	C2	S3	C4	159.0°	180.0°
S3	C2	H21	H22	118.0°	119.9°
C2	S3	C4	H41	180.0°	180.0°
C2	S3	C4	H42	54.7°	60.0°
C2	S3	C4	H43	54.8°	60.0°
H21	C2	S3	C4	33.7°	60.0°
H22	C2	S3	C4	75.7°	60.0°
S3	C4	H41	H42	125.2°	120.0°
S3	C4	H41	H43	125.3°	120.0°
S3	C4	H42	H43	123.9°	119.9°
H41	C4	H42	H43	123.9°	120.0°

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PDB entries from 2026-01-14

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