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Summary Geometry Related PDB entries

GHM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C8	doub	1.21Å	1.25Å
O3	C6	doub	1.21Å	1.25Å
C8	C7	sing	1.48Å	1.53Å
C8	O6	sing	1.35Å	1.26Å
C7	C9	doub	1.39Å	1.38Å	Aromatic
C7	C5	sing	1.41Å	1.39Å	Aromatic
C6	C5	sing	1.48Å	1.53Å
C6	O4	sing	1.35Å	1.26Å
C9	C2	sing	1.40Å	1.38Å	Aromatic
O1	C1	doub	1.21Å	1.26Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C2	C1	sing	1.48Å	1.52Å
C2	C3	doub	1.40Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
C1	O2	sing	1.35Å	1.26Å
C4	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
O2	H4	sing	0.97Å	0.95Å
O4	H5	sing	0.97Å	0.95Å
O6	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C8	C7	119.7°	120.0°
O5	C8	O6	119.5°	120.0°
O3	C6	C5	119.3°	120.0°
O3	C6	O4	120.0°	120.0°
C7	C8	O6	120.8°	120.0°
C8	C7	C9	118.9°	120.1°
C8	C7	C5	121.1°	120.2°
C8	O6	H6	109.5°	117.0°
C9	C7	C5	120.0°	119.8°
C7	C9	C2	120.1°	119.8°
C7	C9	H2	119.9°	120.1°
C7	C5	C6	120.9°	120.1°
C7	C5	C4	119.8°	119.9°
C5	C6	O4	120.7°	120.0°
C6	C5	C4	119.3°	120.1°
C6	O4	H5	109.5°	117.0°
C9	C2	C1	118.8°	120.0°
C9	C2	C3	120.5°	120.1°
C2	C9	H2	120.0°	120.1°
O1	C1	C2	119.3°	120.0°
O1	C1	O2	121.0°	120.0°
C5	C4	C3	120.3°	120.2°
C5	C4	H1	119.9°	119.9°
C1	C2	C3	120.7°	119.9°
C2	C1	O2	119.7°	120.0°
C2	C3	C4	119.4°	120.3°
C2	C3	H3	120.3°	119.9°
C3	C4	H1	119.9°	119.9°
C4	C3	H3	120.3°	119.9°
C1	O2	H4	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C8	C7	O6	179.3°	179.9°
O5	C8	C7	C9	134.8°	173.7°
O5	C8	C7	C5	44.9°	6.3°
O5	C8	O6	H6	0.0°	0.1°
O3	C6	C5	C7	113.0°	55.0°
O3	C6	C5	O4	179.9°	180.0°
O3	C6	C5	C4	66.7°	125.0°
O3	C6	O4	H5	0.0°	0.1°
C8	C7	C9	C5	179.7°	179.9°
C8	C7	C5	C6	0.3°	0.0°
C8	C7	C9	C2	180.0°	179.9°
C8	C7	C5	C4	180.0°	180.0°
C8	C7	C9	H2	0.0°	0.1°
C7	C8	O6	H6	179.3°	180.0°
O6	C8	C7	C9	46.0°	6.2°
O6	C8	C7	C5	134.4°	173.7°
C9	C7	C5	C6	179.3°	180.0°
C7	C9	C2	H2	180.0°	179.9°
C9	C7	C5	C4	0.4°	0.0°
C7	C9	C2	C1	179.7°	180.0°
C7	C9	C2	C3	0.1°	0.0°
C7	C5	C6	C4	179.7°	180.0°
C7	C5	C6	O4	67.2°	125.1°
C5	C7	C9	C2	0.3°	0.0°
C7	C5	C4	C3	0.2°	0.0°
C7	C5	C4	H1	179.8°	179.7°
C5	C7	C9	H2	179.7°	179.9°
C6	C5	C4	C3	179.5°	180.0°
C6	C5	C4	H1	0.5°	0.3°
C5	C6	O4	H5	179.9°	180.0°
O4	C6	C5	C4	113.1°	54.9°
C9	C2	C1	O1	22.3°	0.0°
C9	C2	C1	C3	179.8°	180.0°
C9	C2	C3	C4	0.0°	0.0°
C9	C2	C1	O2	157.5°	180.0°
C9	C2	C3	H3	180.0°	179.8°
O1	C1	C2	O2	179.7°	180.0°
O1	C1	C2	C3	157.9°	180.0°
O1	C1	O2	H4	0.0°	0.1°
C5	C4	C3	C2	0.0°	0.0°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	H3	180.0°	179.8°
C1	C2	C3	C4	179.9°	180.0°
C1	C2	C9	H2	0.3°	0.1°
C1	C2	C3	H3	0.2°	0.3°
C2	C1	O2	H4	179.7°	180.0°
C2	C3	C4	H3	180.0°	179.8°
C3	C2	C1	O2	22.4°	0.0°
C2	C3	C4	H1	180.0°	179.7°
C3	C2	C9	H2	179.9°	179.9°
H1	C4	C3	H3	0.0°	0.1°

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