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Summary Geometry Related PDB entries

MHA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.49Å
N1	C3	sing	1.47Å	1.49Å
N1	C5	sing	1.47Å	1.50Å
C1	C2	sing	1.51Å	1.53Å
C1	HC11	sing	1.09Å	1.11Å
C1	HC12	sing	1.09Å	1.11Å
C2	O1	sing	1.34Å	1.22Å
C2	O2	doub	1.21Å	1.30Å
O1	HO1	sing	0.97Å	0.95Å
C3	C4	sing	1.51Å	1.53Å
C3	HC31	sing	1.09Å	1.12Å
C3	HC32	sing	1.09Å	1.11Å
C4	O3	sing	1.34Å	1.24Å
C4	O4	doub	1.21Å	1.31Å
O3	HO3	sing	0.97Å	0.95Å
C5	C6	sing	1.51Å	1.53Å
C5	HC51	sing	1.09Å	1.12Å
C5	HC52	sing	1.09Å	1.11Å
C6	O5	doub	1.21Å	1.23Å
C6	N2	sing	1.35Å	1.32Å
N2	HN21	sing	0.97Å	1.02Å
N2	HN22	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C3	122.0°	106.7°
C1	N1	C5	118.1°	106.7°
N1	C1	C2	125.6°	109.5°
N1	C1	HC11	106.6°	109.5°
N1	C1	HC12	106.5°	109.4°
C3	N1	C5	110.9°	106.7°
N1	C3	C4	125.5°	109.5°
N1	C3	HC31	106.5°	109.5°
N1	C3	HC32	106.5°	109.5°
N1	C5	C6	121.9°	109.5°
N1	C5	HC51	107.8°	109.5°
N1	C5	HC52	107.8°	109.4°
C2	C1	HC11	106.5°	109.4°
C2	C1	HC12	106.5°	109.5°
C1	C2	O1	118.8°	120.0°
C1	C2	O2	119.2°	120.0°
HC11	C1	HC12	103.1°	109.5°
O1	C2	O2	121.9°	119.9°
C2	O1	HO1	118.8°	120.1°
C4	C3	HC31	106.6°	109.4°
C4	C3	HC32	106.6°	109.4°
C3	C4	O3	113.6°	120.0°
C3	C4	O4	119.8°	120.0°
HC31	C3	HC32	103.1°	109.5°
O3	C4	O4	122.8°	120.0°
C4	O3	HO3	113.6°	120.1°
C6	C5	HC51	107.7°	109.5°
C6	C5	HC52	107.8°	109.5°
C5	C6	O5	119.3°	120.0°
C5	C6	N2	116.6°	120.0°
HC51	C5	HC52	102.0°	109.4°
O5	C6	N2	123.8°	120.0°
C6	N2	HN21	123.8°	120.1°
C6	N2	HN22	116.7°	120.0°
HN21	N2	HN22	119.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C3	C5	146.4°	113.8°
N1	C1	C2	HC11	125.3°	120.0°
N1	C1	C2	HC12	125.2°	120.0°
N1	C1	HC11	HC12	111.9°	120.0°
N1	C1	C2	O1	63.8°	177.3°
N1	C1	C2	O2	119.4°	2.6°
C1	N1	C3	C4	31.8°	84.1°
C1	N1	C3	HC31	157.0°	35.9°
C1	N1	C3	HC32	93.5°	155.9°
C1	N1	C5	C6	109.6°	180.0°
C1	N1	C5	HC51	15.6°	59.9°
C1	N1	C5	HC52	125.1°	60.0°
C3	N1	C1	C2	142.1°	170.5°
C3	N1	C1	HC11	16.9°	69.6°
C3	N1	C1	HC12	92.7°	50.5°
N1	C3	C4	HC31	125.2°	120.0°
N1	C3	C4	HC32	125.3°	120.0°
N1	C3	HC31	HC32	111.9°	120.0°
N1	C3	C4	O3	171.3°	172.5°
N1	C3	C4	O4	12.8°	7.5°
C3	N1	C5	C6	38.3°	66.2°
C3	N1	C5	HC51	163.5°	173.7°
C3	N1	C5	HC52	87.0°	53.8°
C5	N1	C1	C2	2.1°	75.8°
C5	N1	C1	HC11	127.3°	44.2°
C5	N1	C1	HC12	123.2°	164.3°
C5	N1	C3	C4	114.7°	162.2°
C5	N1	C3	HC31	10.6°	77.8°
C5	N1	C3	HC32	120.1°	42.2°
N1	C5	C6	HC51	125.3°	120.0°
N1	C5	C6	HC52	125.3°	120.0°
N1	C5	HC51	HC52	113.4°	119.9°
N1	C5	C6	O5	49.0°	0.1°
N1	C5	C6	N2	125.9°	180.0°
C2	C1	HC11	HC12	111.9°	120.0°
C1	C2	O1	O2	176.7°	179.9°
C1	C2	O1	HO1	180.0°	180.0°
HC11	C1	C2	O1	61.4°	62.6°
HC11	C1	C2	O2	115.4°	117.4°
HC12	C1	C2	O1	170.9°	57.4°
HC12	C1	C2	O2	5.9°	122.6°
O2	C2	O1	HO1	3.3°	0.1°
C4	C3	HC31	HC32	112.0°	119.9°
C3	C4	O3	O4	157.7°	180.0°
C3	C4	O3	HO3	180.0°	180.0°
HC31	C3	C4	O3	46.1°	52.5°
HC31	C3	C4	O4	112.4°	127.5°
HC32	C3	C4	O3	63.5°	67.5°
HC32	C3	C4	O4	138.1°	112.5°
O4	C4	O3	HO3	22.3°	0.0°
C6	C5	HC51	HC52	113.3°	120.0°
C5	C6	O5	N2	174.4°	179.9°
C5	C6	N2	HN21	5.5°	180.0°
C5	C6	N2	HN22	180.0°	0.3°
HC51	C5	C6	O5	76.3°	120.0°
HC51	C5	C6	N2	108.8°	59.9°
HC52	C5	C6	O5	174.2°	120.1°
HC52	C5	C6	N2	0.6°	60.1°
O5	C6	N2	HN21	179.9°	0.1°
O5	C6	N2	HN22	5.5°	179.8°
C6	N2	HN21	HN22	174.3°	179.7°

223166

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