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Summary Geometry Related PDB entries

LSA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.37Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	S10	sing	1.77Å	1.76Å
C6	C1	doub	1.40Å	1.38Å	Aromatic
C7	N9	sing	1.34Å	1.36Å
C7	O8	doub	1.22Å	1.22Å
C7	C1	sing	1.47Å	1.51Å
C3	C2	doub	1.38Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
S10	N9	sing	1.67Å	1.75Å
S10	O12	doub	1.42Å	1.44Å
S10	O11	doub	1.42Å	1.46Å
N9	HN9	sing	0.97Å	1.00Å
C1	C2	sing	1.41Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C3	119.5°	119.5°
C5	C4	H4	120.3°	120.2°
C4	C5	C6	117.1°	119.8°
C4	C5	H5	121.5°	120.1°
C3	C4	H4	120.2°	120.2°
C4	C3	C2	122.2°	120.9°
C4	C3	H3	118.9°	119.6°
C6	C5	H5	121.4°	120.1°
C5	C6	S10	126.0°	134.2°
C5	C6	C1	123.8°	122.0°
S10	C6	C1	110.2°	103.8°
C6	S10	N9	94.7°	99.9°
C6	S10	O12	106.8°	107.5°
C6	S10	O11	108.2°	107.5°
C6	C1	C7	111.1°	112.5°
C6	C1	C2	119.1°	117.5°
N9	C7	O8	124.4°	121.0°
N9	C7	C1	115.2°	118.0°
C7	N9	S10	108.8°	105.9°
C7	N9	HN9	125.6°	127.1°
O8	C7	C1	120.4°	121.0°
C7	C1	C2	129.8°	130.0°
C2	C3	H3	118.9°	119.5°
C3	C2	C1	118.3°	120.3°
C3	C2	H2	120.9°	119.9°
N9	S10	O12	111.8°	107.5°
N9	S10	O11	112.2°	107.5°
S10	N9	HN9	125.6°	127.1°
O12	S10	O11	120.0°	124.3°
C1	C2	H2	120.8°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C3	H4	180.0°	179.8°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	S10	179.7°	180.0°
C4	C5	C6	C1	0.0°	0.0°
C5	C4	C3	C2	0.0°	0.0°
C5	C4	C3	H3	179.9°	180.0°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	H5	179.9°	179.9°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C1	0.0°	0.0°
C4	C3	C2	H2	180.0°	179.9°
H4	C4	C5	C6	180.0°	179.8°
H4	C4	C5	H5	0.1°	0.3°
H4	C4	C3	C2	180.0°	179.8°
H4	C4	C3	H3	0.1°	0.2°
C5	C6	S10	C1	179.7°	180.0°
C5	C6	C1	C7	180.0°	180.0°
C5	C6	S10	N9	179.9°	180.0°
C5	C6	S10	O12	65.5°	68.0°
C5	C6	S10	O11	64.9°	68.0°
C5	C6	C1	C2	0.0°	0.0°
H5	C5	C6	S10	0.3°	0.1°
H5	C5	C6	C1	180.0°	179.9°
C6	S10	N9	C7	0.4°	0.0°
S10	C6	C1	C7	0.3°	0.0°
C6	S10	N9	O12	110.2°	112.0°
C6	S10	N9	O11	111.8°	112.0°
C6	S10	O12	O11	123.3°	126.6°
C6	S10	N9	HN9	179.6°	179.9°
S10	C6	C1	C2	179.7°	180.0°
C6	C1	C7	N9	0.0°	0.0°
C6	C1	C7	O8	180.0°	180.0°
C6	C1	C7	C2	180.0°	180.0°
C6	C1	C2	C3	0.0°	0.0°
C1	C6	S10	N9	0.4°	0.0°
C1	C6	S10	O12	114.8°	112.0°
C1	C6	S10	O11	114.8°	112.0°
C6	C1	C2	H2	180.0°	179.9°
N9	C7	O8	C1	180.0°	180.0°
C7	N9	S10	HN9	180.0°	179.9°
C7	N9	S10	O12	110.6°	112.0°
C7	N9	S10	O11	111.4°	112.0°
N9	C7	C1	C2	180.0°	180.0°
O8	C7	N9	S10	179.7°	180.0°
O8	C7	N9	HN9	0.3°	0.1°
O8	C7	C1	C2	0.0°	0.0°
C7	C1	C2	C3	180.0°	180.0°
C1	C7	N9	S10	0.3°	0.0°
C1	C7	N9	HN9	179.7°	179.9°
C7	C1	C2	H2	0.0°	0.1°
C3	C2	C1	H2	180.0°	179.9°
H3	C3	C2	C1	180.0°	180.0°
H3	C3	C2	H2	0.1°	0.1°
N9	S10	O12	O11	134.4°	126.6°
O12	S10	N9	HN9	69.4°	67.9°
O11	S10	N9	HN9	68.6°	68.0°

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PDB entries from 2024-07-17

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