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Summary Geometry Related PDB entries

MLM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.34Å	1.34Å
C1	O2	doub	1.21Å	1.18Å
C1	C2	sing	1.51Å	1.53Å
O1	H1	sing	0.97Å	0.95Å
C2	C3	sing	1.51Å	1.54Å
C2	H2C1	sing	1.09Å	1.10Å
C2	H2C2	sing	1.09Å	1.10Å
C3	O3	doub	1.21Å	1.22Å
C3	N6	sing	1.35Å	1.34Å
N6	H6N1	sing	0.97Å	0.99Å
N6	H6N2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	122.9°	120.0°
O1	C1	C2	111.9°	120.0°
C1	O1	H1	122.9°	120.0°
O2	C1	C2	125.2°	120.0°
C1	C2	C3	116.8°	109.5°
C1	C2	H2C1	107.6°	109.5°
C1	C2	H2C2	105.1°	109.5°
C3	C2	H2C1	107.6°	109.5°
C3	C2	H2C2	105.1°	109.5°
C2	C3	O3	119.5°	120.0°
C2	C3	N6	118.5°	120.0°
H2C1	C2	H2C2	114.9°	109.4°
O3	C3	N6	122.0°	120.0°
C3	N6	H6N1	120.0°	120.0°
C3	N6	H6N2	120.0°	120.0°
H6N1	N6	H6N2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.6°	180.0°
O1	C1	C2	C3	117.0°	180.0°
O1	C1	C2	H2C1	4.1°	60.0°
O1	C1	C2	H2C2	126.9°	59.9°
O2	C1	O1	H1	180.0°	0.0°
O2	C1	C2	C3	62.7°	0.0°
O2	C1	C2	H2C1	176.3°	120.0°
O2	C1	C2	H2C2	53.4°	120.1°
C2	C1	O1	H1	0.4°	180.0°
C1	C2	C3	H2C1	121.0°	120.0°
C1	C2	C3	H2C2	116.1°	120.1°
C1	C2	H2C1	H2C2	116.7°	120.0°
C1	C2	C3	O3	53.9°	0.0°
C1	C2	C3	N6	124.3°	180.0°
C3	C2	H2C1	H2C2	116.7°	120.0°
C2	C3	O3	N6	178.1°	180.0°
C2	C3	N6	H6N1	0.0°	180.0°
C2	C3	N6	H6N2	180.0°	0.2°
H2C1	C2	C3	O3	174.9°	120.0°
H2C1	C2	C3	N6	3.2°	60.0°
H2C2	C2	C3	O3	62.2°	120.1°
H2C2	C2	C3	N6	119.6°	59.9°
O3	C3	N6	H6N1	178.1°	0.0°
O3	C3	N6	H6N2	1.9°	179.8°
C3	N6	H6N1	H6N2	180.0°	179.8°

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PDB entries from 2024-07-10

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